smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCn1c([O-])c(C(=O)Nc2cc(C)ccc2C)c(=O)c2ccccc21	ZINC000002291836	204032975	/nfs/dbraw/zinc/03/29/75/204032975.db2.gz	YYMQBXWNLGHKDW-UHFFFAOYSA-N	-1	1	364.445	4.376	50	0		FIAAMM
Cc1nnc([N-]C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)s1	ZINC000002309710	204033396	/nfs/dbraw/zinc/03/33/96/204033396.db2.gz	VODLYEFDQVAPIB-UHFFFAOYSA-N	-1	1	369.233	4.369	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1Cl	ZINC000002734100	204053514	/nfs/dbraw/zinc/05/35/14/204053514.db2.gz	KNHPHYJEPPHVOV-UHFFFAOYSA-N	-1	1	360.660	4.212	50	0		FIAAMM
O=C1Sc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)c3cccc1c23	ZINC000005234349	204199007	/nfs/dbraw/zinc/19/90/07/204199007.db2.gz	APYCCIPIFXTXHR-UHFFFAOYSA-N	-1	1	359.403	4.026	50	0		FIAAMM
O=S(=O)([N-]c1cccc2ccccc21)c1cccc(Br)c1	ZINC000006315933	204245003	/nfs/dbraw/zinc/24/50/03/204245003.db2.gz	DAVYRLXKCSLBNT-UHFFFAOYSA-N	-1	1	362.248	4.403	50	0		FIAAMM
O=S(=O)([N-]c1cccc(Cl)c1F)c1ccccc1Br	ZINC000007387696	204296300	/nfs/dbraw/zinc/29/63/00/204296300.db2.gz	SPRAIHCLRHOOHJ-UHFFFAOYSA-N	-1	1	364.623	4.042	50	0		FIAAMM
Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)s2)c1C	ZINC000009686844	204378065	/nfs/dbraw/zinc/37/80/65/204378065.db2.gz	NLUXVDIXUVWXBG-UHFFFAOYSA-N	-1	1	367.883	4.209	50	0		FIAAMM
Cc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1Cl	ZINC000011427460	204409095	/nfs/dbraw/zinc/40/90/95/204409095.db2.gz	WRQXXJZVQTUBMF-UHFFFAOYSA-N	-1	1	364.883	4.270	50	0		FIAAMM
Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)o1	ZINC000009807725	204383201	/nfs/dbraw/zinc/38/32/01/204383201.db2.gz	WBALFYCOIJBBGI-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](C(=O)[O-])C1	ZINC000299741422	205123499	/nfs/dbraw/zinc/12/34/99/205123499.db2.gz	FTTYYUPYSAKUFE-RKDXNWHRSA-N	-1	1	355.278	4.192	50	0		FIAAMM
CC(C)(C)n1ncc2c1NC(=O)CS[C@@H]2c1ccc([O-])c(Cl)c1	ZINC000049546793	205172521	/nfs/dbraw/zinc/17/25/21/205172521.db2.gz	MUOQMYVGHVHCHE-CQSZACIVSA-N	-1	1	351.859	4.421	50	0		FIAAMM
Cc1cc(-c2csc(S(=O)(=O)[N-]c3ccccc3Cl)c2)on1	ZINC000049544974	205172808	/nfs/dbraw/zinc/17/28/08/205172808.db2.gz	BSYVZWLQEVZCNW-UHFFFAOYSA-N	-1	1	354.840	4.166	50	0		FIAAMM
Cc1cc(C)cc(NC(=O)[C@H](C)n2c(-c3cccs3)n[n-]c2=S)c1	ZINC000058369482	205273608	/nfs/dbraw/zinc/27/36/08/205273608.db2.gz	IUUZAMIWBUXWLU-LBPRGKRZSA-N	-1	1	358.492	4.486	50	0		FIAAMM
CCCc1nnc([N-]C(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)s1	ZINC000061997181	205291385	/nfs/dbraw/zinc/29/13/85/205291385.db2.gz	FDSZFZWJUJPRLG-UHFFFAOYSA-N	-1	1	372.450	4.185	50	0		FIAAMM
C[C@H](C(=O)Nc1ccc2c(c1)CCC2)n1c(=S)[n-]nc1-c1cccs1	ZINC000058458755	205276488	/nfs/dbraw/zinc/27/64/88/205276488.db2.gz	GVMPNPKODOFTNS-LLVKDONJSA-N	-1	1	370.503	4.358	50	0		FIAAMM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1	ZINC000064837724	205306192	/nfs/dbraw/zinc/30/61/92/205306192.db2.gz	KNLSRJAXVKQTNA-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
COc1cccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2C)c1	ZINC000064837455	205306623	/nfs/dbraw/zinc/30/66/23/205306623.db2.gz	JSUYLKKHYGOFLO-UHFFFAOYSA-N	-1	1	372.446	4.076	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)c(C)c2)on1	ZINC000064979653	205312752	/nfs/dbraw/zinc/31/27/52/205312752.db2.gz	FKZPBGRYDLDFMP-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)c(C)c2)on1	ZINC000064979627	205313088	/nfs/dbraw/zinc/31/30/88/205313088.db2.gz	FXPNXEKJIRALST-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
CCc1ccc([C@@H](C)NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1	ZINC000065530436	205358375	/nfs/dbraw/zinc/35/83/75/205358375.db2.gz	IWZSZLXZBLTXFX-GFCCVEGCSA-N	-1	1	372.519	4.109	50	0		FIAAMM
Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NCc2ccco2)cc1	ZINC000067299158	205370002	/nfs/dbraw/zinc/37/00/02/205370002.db2.gz	RWORKCAHCSBUTF-GYHWCHFESA-N	-1	1	374.396	4.202	50	0		FIAAMM
Cc1cc(-c2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)c(C)s2)on1	ZINC000096323445	205872674	/nfs/dbraw/zinc/87/26/74/205872674.db2.gz	VTWXPCPBQBGYQK-UHFFFAOYSA-N	-1	1	370.402	4.099	50	0		FIAAMM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c1C	ZINC000012535997	206292139	/nfs/dbraw/zinc/29/21/39/206292139.db2.gz	YBXDGSCFPKFOCJ-UHFFFAOYSA-N	-1	1	372.490	4.070	50	0		FIAAMM
CSc1nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2s1	ZINC000000645820	570443728	/nfs/dbraw/zinc/44/37/28/570443728.db2.gz	XFAKTNWMCAOPCJ-UHFFFAOYSA-N	-1	1	350.490	4.127	50	0		FIAAMM
O=S(=O)([N-]c1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)cc1	ZINC000000784103	570456091	/nfs/dbraw/zinc/45/60/91/570456091.db2.gz	POLZAWJIQRNVBI-UHFFFAOYSA-N	-1	1	363.410	4.058	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)cc1	ZINC000002982734	570546575	/nfs/dbraw/zinc/54/65/75/570546575.db2.gz	CDHJVWWIURXEFI-UHFFFAOYSA-N	-1	1	363.442	4.111	50	0		FIAAMM
Cc1nc(N2C[C@@H](C)C[C@H](C)C2)[n-]c(=O)c1Cc1cccc2ccccc21	ZINC000009332327	570694202	/nfs/dbraw/zinc/69/42/02/570694202.db2.gz	XBTFTZLIIVSZAI-HOTGVXAUSA-N	-1	1	361.489	4.305	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(C)cc(C)c2)cc1	ZINC000012794057	570762253	/nfs/dbraw/zinc/76/22/53/570762253.db2.gz	AFDRKIGJUPZYCZ-UHFFFAOYSA-N	-1	1	352.463	4.172	50	0		FIAAMM
O=S(=O)(c1ccc(Cl)c(Cl)c1)c1cnc2c(F)cccc2c1[O-]	ZINC000015828977	570844566	/nfs/dbraw/zinc/84/45/66/570844566.db2.gz	UWRWMRRIMALCEH-UHFFFAOYSA-N	-1	1	372.204	4.219	50	0		FIAAMM
CCc1ccc2c(C)nc(Nc3nc(C)c(CCC(C)C)c(=O)[n-]3)nc2c1	ZINC000018223208	570877369	/nfs/dbraw/zinc/87/73/69/570877369.db2.gz	JYSHSEIFELZZAK-UHFFFAOYSA-N	-1	1	365.481	4.225	50	0		FIAAMM
Cc1ccc(S[C@@H](C)C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1	ZINC000021496977	570930910	/nfs/dbraw/zinc/93/09/10/570930910.db2.gz	VBXWQDFZTGJUIT-ZDUSSCGKSA-N	-1	1	370.426	4.031	50	0		FIAAMM
CCCc1cc(=O)[n-]c(SCc2nc(-c3ccc(C)cc3)oc2C)n1	ZINC000035480764	571174306	/nfs/dbraw/zinc/17/43/06/571174306.db2.gz	YUYNSESCCXDEED-UHFFFAOYSA-N	-1	1	355.463	4.287	50	0		FIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCC(C)C)ccc2C)c1	ZINC000012536017	571176178	/nfs/dbraw/zinc/17/61/78/571176178.db2.gz	IUEWZEAJVNPALO-UHFFFAOYSA-N	-1	1	374.506	4.479	50	0		FIAAMM
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1	ZINC000012552427	571179964	/nfs/dbraw/zinc/17/99/64/571179964.db2.gz	QFLZOJRTIKKWPS-OAHLLOKOSA-N	-1	1	372.490	4.128	50	0		FIAAMM
COCC1(CNC(=O)c2ccc(-c3ccc([O-])c(Cl)c3)cc2)CCC1	ZINC000426388008	571218740	/nfs/dbraw/zinc/21/87/40/571218740.db2.gz	SQVUYSAWRZTCIO-UHFFFAOYSA-N	-1	1	359.853	4.259	50	0		FIAAMM
CSc1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3C)cc2s1	ZINC000033298814	571231075	/nfs/dbraw/zinc/23/10/75/571231075.db2.gz	ZSAUDMVQQOBAQN-UHFFFAOYSA-N	-1	1	368.480	4.267	50	0		FIAAMM
O=C([N-]c1nc(-c2ccccc2)ns1)c1csc(-c2ccco2)n1	ZINC000042090779	571269647	/nfs/dbraw/zinc/26/96/47/571269647.db2.gz	PQEVRHLWFMXRKN-UHFFFAOYSA-N	-1	1	354.416	4.174	50	0		FIAAMM
Cc1oc(-c2ccccc2C)nc1CSc1nc2c(c(=O)[n-]1)CCCC2	ZINC000016841827	571273243	/nfs/dbraw/zinc/27/32/43/571273243.db2.gz	CXOSMPBGBYLAOA-UHFFFAOYSA-N	-1	1	367.474	4.213	50	0		FIAAMM
CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccccc2[C@@H](O)C(C)C)cc1	ZINC000095444501	571329748	/nfs/dbraw/zinc/32/97/48/571329748.db2.gz	RBPFMFUMYSODKC-FQEVSTJZSA-N	-1	1	361.507	4.375	50	0		FIAAMM
Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)o1	ZINC000021032181	571332233	/nfs/dbraw/zinc/33/22/33/571332233.db2.gz	SPGOVUSQUMHHOU-UHFFFAOYSA-N	-1	1	366.801	4.243	50	0		FIAAMM
CC(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000003196602	204080866	/nfs/dbraw/zinc/08/08/66/204080866.db2.gz	LRZSLYIVNRMENC-UHFFFAOYSA-N	-1	1	354.269	4.373	50	0		FIAAMM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000005126465	204193637	/nfs/dbraw/zinc/19/36/37/204193637.db2.gz	OQGMDLCFMMRLQA-UHFFFAOYSA-N	-1	1	360.660	4.212	50	0		FIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c2ccccc12	ZINC000005150601	204194134	/nfs/dbraw/zinc/19/41/34/204194134.db2.gz	OWWMJFCCYVANHT-UHFFFAOYSA-N	-1	1	357.431	4.048	50	0		FIAAMM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1	ZINC000006929887	204282667	/nfs/dbraw/zinc/28/26/67/204282667.db2.gz	IJIYQIZOWPHUTF-UHFFFAOYSA-N	-1	1	368.458	4.050	50	0		FIAAMM
CCc1ccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1	ZINC000006929544	204282709	/nfs/dbraw/zinc/28/27/09/204282709.db2.gz	YWTLSLQWDPOSAK-UHFFFAOYSA-N	-1	1	354.475	4.410	50	0		FIAAMM
O=S(=O)([N-]c1ccc(-c2nccs2)cc1)c1ccc2c(c1)CCCC2	ZINC000007055604	204287924	/nfs/dbraw/zinc/28/79/24/204287924.db2.gz	JGRUCAOXCLUPJW-UHFFFAOYSA-N	-1	1	370.499	4.490	50	0		FIAAMM
O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc2ccccc2s1	ZINC000007412817	204296541	/nfs/dbraw/zinc/29/65/41/204296541.db2.gz	HHVWYZRBBFTMJG-UHFFFAOYSA-N	-1	1	352.367	4.070	50	0		FIAAMM
O=C1C[C@@H](c2cccc3ccccc32)c2c(=O)[n-]c(-c3ccccc3)nc2N1	ZINC000008927466	204348347	/nfs/dbraw/zinc/34/83/47/204348347.db2.gz	ANBLLHDYTCHWKS-SFHVURJKSA-N	-1	1	367.408	4.064	50	0		FIAAMM
O=C1C[C@@H](c2ccc3ccccc3c2)c2c(=O)[n-]c(-c3ccccc3)nc2N1	ZINC000009065604	204352847	/nfs/dbraw/zinc/35/28/47/204352847.db2.gz	JSCNZACIOUHFCP-SFHVURJKSA-N	-1	1	367.408	4.064	50	0		FIAAMM
Cc1ccc(CNCc2c(C)n(Cc3cccc(F)c3)c(C)c2C(=O)[O-])o1	ZINC000009746673	204382392	/nfs/dbraw/zinc/38/23/92/204382392.db2.gz	OVXUOVVJFJYAPW-UHFFFAOYSA-N	-1	1	370.424	4.182	50	0		FIAAMM
Cc1c(CNCc2ccco2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1	ZINC000009746847	204382514	/nfs/dbraw/zinc/38/25/14/204382514.db2.gz	QGXKTOSDDQXTIW-UHFFFAOYSA-N	-1	1	372.852	4.388	50	0		FIAAMM
CSc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1	ZINC000009954627	204386878	/nfs/dbraw/zinc/38/68/78/204386878.db2.gz	UUXIXRHRBVOXCN-UHFFFAOYSA-N	-1	1	362.505	4.030	50	0		FIAAMM
CCc1cc2c(CNc3ccc4oc(C)nc4c3)cc(=O)oc2cc1[O-]	ZINC000012515623	204470186	/nfs/dbraw/zinc/47/01/86/204470186.db2.gz	VGDNCQBECGLCGW-UHFFFAOYSA-N	-1	1	350.374	4.123	50	0		FIAAMM
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](C(=O)[O-])C1	ZINC000299741419	205123632	/nfs/dbraw/zinc/12/36/32/205123632.db2.gz	FTTYYUPYSAKUFE-BDAKNGLRSA-N	-1	1	355.278	4.192	50	0		FIAAMM
CCc1c(C)nc(SCc2nc(-c3ccccc3C)oc2C)[n-]c1=O	ZINC000045924770	205125834	/nfs/dbraw/zinc/12/58/34/205125834.db2.gz	YYJCEZLXDGPBQJ-UHFFFAOYSA-N	-1	1	355.463	4.205	50	0		FIAAMM
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ncc(-c2cccc(Cl)c2)o1	ZINC000299745382	205127456	/nfs/dbraw/zinc/12/74/56/205127456.db2.gz	YMDPFTKFDSNDKI-RCBQFDQVSA-N	-1	1	360.841	4.213	50	0		FIAAMM
O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ncc(-c2cccc(Cl)c2)o1	ZINC000299745380	205128186	/nfs/dbraw/zinc/12/81/86/205128186.db2.gz	YMDPFTKFDSNDKI-KCXAZCMYSA-N	-1	1	360.841	4.213	50	0		FIAAMM
Cc1ccc(F)cc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[n-]c1=S	ZINC000064334985	205296912	/nfs/dbraw/zinc/29/69/12/205296912.db2.gz	ANGJKWCTVTXQFO-SNVBAGLBSA-N	-1	1	362.455	4.316	50	0		FIAAMM
C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)n1c(=S)[n-]nc1-c1cccs1	ZINC000058458753	205275290	/nfs/dbraw/zinc/27/52/90/205275290.db2.gz	GVMPNPKODOFTNS-NSHDSACASA-N	-1	1	370.503	4.358	50	0		FIAAMM
Cc1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[n-]c2=S)cc1F	ZINC000058430660	205276541	/nfs/dbraw/zinc/27/65/41/205276541.db2.gz	QHSPNPHSOCSVKX-JTQLQIEISA-N	-1	1	362.455	4.316	50	0		FIAAMM
CCCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c2cccnc21	ZINC000065242260	205328477	/nfs/dbraw/zinc/32/84/77/205328477.db2.gz	GFCJZPXHMXLLHM-UHFFFAOYSA-N	-1	1	367.833	4.040	50	0		FIAAMM
COc1cccc(-c2nnc([N-]C(=O)c3cc(Cl)sc3Cl)o2)c1	ZINC000004276050	206175752	/nfs/dbraw/zinc/17/57/52/206175752.db2.gz	KBXHAYKTPBASOY-UHFFFAOYSA-N	-1	1	370.217	4.366	50	0		FIAAMM
Cc1ccc(-c2nnc([N-]C(=O)c3nc4ccccc4s3)o2)c(C)c1	ZINC000004479449	206178014	/nfs/dbraw/zinc/17/80/14/206178014.db2.gz	LXLXQJQVPCNMJK-UHFFFAOYSA-N	-1	1	350.403	4.215	50	0		FIAAMM
CC1(C)C[C@@]2(C[C@H](c3ccccc3)c3cc(Cl)c([O-])cc3O2)NC(=O)N1	ZINC000004671249	206181855	/nfs/dbraw/zinc/18/18/55/206181855.db2.gz	CUNYRZOIZZZCMK-VLIAUNLRSA-N	-1	1	372.852	4.138	50	0		FIAAMM
COc1ccc(-c2cc(=O)oc3c4c(cc([O-])c23)OC(C)(C)CC4)cc1	ZINC000008765220	206217751	/nfs/dbraw/zinc/21/77/51/206217751.db2.gz	SZMCXGKXCHNDIX-UHFFFAOYSA-N	-1	1	352.386	4.278	50	0	biogenic	FIAAMM
Cc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[n-]c2=S)cc1C	ZINC000058421718	221118455	/nfs/dbraw/zinc/11/84/55/221118455.db2.gz	QDGAHJHIMVOSMD-GFCCVEGCSA-N	-1	1	358.492	4.486	50	0		FIAAMM
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(F)cc1C	ZINC000020978684	523854153	/nfs/dbraw/zinc/85/41/53/523854153.db2.gz	JWYMWTGEXPKWQA-UHFFFAOYSA-N	-1	1	374.437	4.461	50	0		FIAAMM
O=C([N-]c1nc2ccccc2s1)c1cc(OCc2ccccc2)no1	ZINC000090726442	527517194	/nfs/dbraw/zinc/51/71/94/527517194.db2.gz	SEHMGLCLMUQVEJ-UHFFFAOYSA-N	-1	1	351.387	4.116	50	0		FIAAMM
Cc1ccc(OCCOc2ccc(C=C3SC(=O)[N-]C3=O)cc2)c(C)c1	ZINC000015800268	570843984	/nfs/dbraw/zinc/84/39/84/570843984.db2.gz	NRGAYUWOPLZXLA-PDGQHHTCSA-N	-1	1	369.442	4.085	50	0		FIAAMM
CCCc1c(=O)[n-]c(Nc2nc(C)c3ccccc3n2)nc1-c1ccccc1	ZINC000016649546	570859612	/nfs/dbraw/zinc/85/96/12/570859612.db2.gz	DKINFCWHFHKDKX-UHFFFAOYSA-N	-1	1	371.444	4.385	50	0		FIAAMM
O=C1[N-]C(=O)C(=Cc2ccc(COc3ccc(Cl)c(Cl)c3)o2)S1	ZINC000017075833	570867735	/nfs/dbraw/zinc/86/77/35/570867735.db2.gz	WZDIWFWKGQLWSM-AWNIVKPZSA-N	-1	1	370.213	4.489	50	0		FIAAMM
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(Cl)cc2Cl)N1	ZINC000003910374	570892355	/nfs/dbraw/zinc/89/23/55/570892355.db2.gz	ZJDRIKAAFJMYGX-HZPDHXFCSA-N	-1	1	361.228	4.163	50	0	biogenic	FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(F)cc2C)cc1	ZINC000022743735	570949245	/nfs/dbraw/zinc/94/92/45/570949245.db2.gz	HHACDHXVQWAEOA-UHFFFAOYSA-N	-1	1	356.426	4.002	50	0		FIAAMM
O=C(Nc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000023080762	570956062	/nfs/dbraw/zinc/95/60/62/570956062.db2.gz	OLSBEAKOESMBJA-UHFFFAOYSA-N	-1	1	367.430	4.131	50	0		FIAAMM
O=S(=O)([N-]Cc1ccccc1)c1ccc(Cl)c(Cl)c1Cl	ZINC000030768850	571049763	/nfs/dbraw/zinc/04/97/63/571049763.db2.gz	RHFPSQHGXACMEV-UHFFFAOYSA-N	-1	1	350.654	4.125	50	0		FIAAMM
Cc1ccc(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)cc1C	ZINC000068446776	571064816	/nfs/dbraw/zinc/06/48/16/571064816.db2.gz	MJYUUOZBCCDTEB-UHFFFAOYSA-N	-1	1	358.511	4.158	50	0		FIAAMM
Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)c(C)s2)c1C	ZINC000075435369	571178826	/nfs/dbraw/zinc/17/88/26/571178826.db2.gz	RECGOWROJHAWPK-UHFFFAOYSA-N	-1	1	362.476	4.438	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C)c(F)c2)c1	ZINC000012995235	571186174	/nfs/dbraw/zinc/18/61/74/571186174.db2.gz	NATWFADQMYTJAQ-UHFFFAOYSA-N	-1	1	356.426	4.002	50	0		FIAAMM
Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3c(C)cccc3C)c2)o1	ZINC000021032523	571332247	/nfs/dbraw/zinc/33/22/47/571332247.db2.gz	FDXSMHWNWNWPJG-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)o1	ZINC000021032516	571332250	/nfs/dbraw/zinc/33/22/50/571332250.db2.gz	CWXVDFCTOKRWRH-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3C)c2)o1	ZINC000021032855	571332258	/nfs/dbraw/zinc/33/22/58/571332258.db2.gz	XJMWVBIWPJAKAG-UHFFFAOYSA-N	-1	1	360.410	4.207	50	0		FIAAMM
COc1ccc(C)cc1NC(=O)[C@H](C)n1c(=S)[n-]nc1-c1cccs1	ZINC000095957171	571332922	/nfs/dbraw/zinc/33/29/22/571332922.db2.gz	FTEQGLQTFKEGHF-NSHDSACASA-N	-1	1	374.491	4.186	50	0		FIAAMM
O=S(=O)([N-]c1cccc(CCc2ccccn2)c1)c1ccc(Cl)cc1	ZINC000001024880	203974298	/nfs/dbraw/zinc/97/42/98/203974298.db2.gz	PISXJEPSDSFZCP-UHFFFAOYSA-N	-1	1	372.877	4.321	50	0		FIAAMM
O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1	ZINC000003285545	204087622	/nfs/dbraw/zinc/08/76/22/204087622.db2.gz	CEZIPRBLUSDSRO-UHFFFAOYSA-N	-1	1	351.733	4.039	50	0		FIAAMM
COc1ccc(CC(=O)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1	ZINC000003633334	204109110	/nfs/dbraw/zinc/10/91/10/204109110.db2.gz	FWJYDRGUVAWASO-UHFFFAOYSA-N	-1	1	374.396	4.390	50	0		FIAAMM
COc1ccc(-c2n[n-]c(=S)n2C/C=C/c2ccccc2)cc1OC	ZINC000005485160	204211197	/nfs/dbraw/zinc/21/11/97/204211197.db2.gz	DYZJPVBJHLXFGK-RMKNXTFCSA-N	-1	1	353.447	4.338	50	0		FIAAMM
Cc1nc2cc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc2o1	ZINC000008110283	204318025	/nfs/dbraw/zinc/31/80/25/204318025.db2.gz	PVSXTNKVGZRIOV-UHFFFAOYSA-N	-1	1	358.463	4.479	50	0		FIAAMM
CCCCOc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1	ZINC000008674510	204338397	/nfs/dbraw/zinc/33/83/97/204338397.db2.gz	ZKONEWPFCDSHCA-UHFFFAOYSA-N	-1	1	356.447	4.215	50	0		FIAAMM
Cc1ccc2c(C)nc(Nc3nc(-c4ccccc4C)cc(=O)[n-]3)nc2c1	ZINC000010157413	204391850	/nfs/dbraw/zinc/39/18/50/204391850.db2.gz	MJDNXFCUYSIZQU-UHFFFAOYSA-N	-1	1	357.417	4.049	50	0		FIAAMM
Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)C2=C1SC(=S)[N-]C1=O	ZINC000016993779	204645418	/nfs/dbraw/zinc/64/54/18/204645418.db2.gz	KLSHDIDBVFYBJI-GCOCVTSNSA-N	-1	1	358.488	4.327	50	0		FIAAMM
Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1	ZINC000021033822	204744764	/nfs/dbraw/zinc/74/47/64/204744764.db2.gz	DSSBJRSOYFOHCW-UHFFFAOYSA-N	-1	1	372.421	4.467	50	0		FIAAMM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1	ZINC000064837653	205306701	/nfs/dbraw/zinc/30/67/01/205306701.db2.gz	KQXSZHVFYZNGSM-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c(C)c2)on1	ZINC000064979663	205312775	/nfs/dbraw/zinc/31/27/75/205312775.db2.gz	ORCJWLRAGPXTAB-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c(C)c2)on1	ZINC000064979681	205312786	/nfs/dbraw/zinc/31/27/86/205312786.db2.gz	YONUCJGWKKLFRI-UHFFFAOYSA-N	-1	1	360.410	4.207	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)c(C)c2)on1	ZINC000064979694	205313120	/nfs/dbraw/zinc/31/31/20/205313120.db2.gz	HDDSELQITHLOTG-UHFFFAOYSA-N	-1	1	360.410	4.207	50	0		FIAAMM
COCc1cccc(NC(=O)[C@H](C)n2c(=S)[n-]nc2-c2cccs2)c1	ZINC000065478391	205354167	/nfs/dbraw/zinc/35/41/67/205354167.db2.gz	FQYJDEYFVDGHDY-NSHDSACASA-N	-1	1	374.491	4.015	50	0		FIAAMM
COCc1c(C(=O)[N-]c2nnc(C(F)F)s2)sc2cccc(F)c21	ZINC000065515754	205357481	/nfs/dbraw/zinc/35/74/81/205357481.db2.gz	PLBHTHOOZAIYGO-UHFFFAOYSA-N	-1	1	373.381	4.228	50	0		FIAAMM
Cc1ccccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)Nc1ccccn1	ZINC000067293186	205369934	/nfs/dbraw/zinc/36/99/34/205369934.db2.gz	QRRSCWNXPRLWCT-GYHWCHFESA-N	-1	1	371.396	4.327	50	0		FIAAMM
Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)cc1	ZINC000067293190	205370208	/nfs/dbraw/zinc/37/02/08/205370208.db2.gz	IAMAUDKQJHVKCU-GYHWCHFESA-N	-1	1	371.396	4.327	50	0		FIAAMM
Cc1cccc2nc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cn21	ZINC000002502428	206153674	/nfs/dbraw/zinc/15/36/74/206153674.db2.gz	PJRXOGOJAPAWTC-UHFFFAOYSA-N	-1	1	363.442	4.111	50	0		FIAAMM
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2C)cc1	ZINC000007050578	206207625	/nfs/dbraw/zinc/20/76/25/206207625.db2.gz	VACAXQBZHFIDRM-CYBMUJFWSA-N	-1	1	361.463	4.096	50	0		FIAAMM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC)cc2)cc1	ZINC000005652761	206199909	/nfs/dbraw/zinc/19/99/09/206199909.db2.gz	NQOIBTIFFWTKEF-AWEZNQCLSA-N	-1	1	361.463	4.178	50	0		FIAAMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)cc1	ZINC000014256666	206309902	/nfs/dbraw/zinc/30/99/02/206309902.db2.gz	DPXULVGYATUDDL-CQSZACIVSA-N	-1	1	361.463	4.178	50	0		FIAAMM
O=S(=O)([N-]c1cccc2c1CCCC2)c1cccc(C(F)(F)F)c1	ZINC000000643381	570443038	/nfs/dbraw/zinc/44/30/38/570443038.db2.gz	QHNKUQYURLRWPG-UHFFFAOYSA-N	-1	1	355.381	4.385	50	0		FIAAMM
O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](c2nccn2CC2CCC2)C1	ZINC000095383959	570459545	/nfs/dbraw/zinc/45/95/45/570459545.db2.gz	LNYORDDYZFWETB-OAHLLOKOSA-N	-1	1	373.884	4.062	50	0		FIAAMM
O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)Nc1ccc(F)cc1	ZINC000011594535	570482723	/nfs/dbraw/zinc/48/27/23/570482723.db2.gz	CZTZTOUMUKHDTA-UHFFFAOYSA-N	-1	1	362.817	4.039	50	0		FIAAMM
O=C([N-]C(=O)C(Cl)(Cl)Cl)Nc1ccc(Cl)c(Cl)c1	ZINC000001226883	570495361	/nfs/dbraw/zinc/49/53/61/570495361.db2.gz	WNUJZRAWMHIWGR-UHFFFAOYSA-N	-1	1	350.416	4.012	50	0		FIAAMM
O=c1[n-]c(SCCCCOc2ccc(Cl)cc2)nc2c1CCCC2	ZINC000011905558	570599720	/nfs/dbraw/zinc/59/97/20/570599720.db2.gz	XPNXCQFXODADNQ-UHFFFAOYSA-N	-1	1	364.898	4.253	50	0		FIAAMM
O=S(=O)([N-]c1cc(F)ccc1F)c1cc(C(F)(F)F)ccc1Cl	ZINC000014246714	570815828	/nfs/dbraw/zinc/81/58/28/570815828.db2.gz	WRXJTQTYTHSFRC-UHFFFAOYSA-N	-1	1	371.714	4.438	50	0		FIAAMM
Cc1cc(C)cc(OCCOc2cccc(C=C3SC(=O)[N-]C3=O)c2)c1	ZINC000015800429	570844038	/nfs/dbraw/zinc/84/40/38/570844038.db2.gz	MNABCRBRLNYCRT-PDGQHHTCSA-N	-1	1	369.442	4.085	50	0		FIAAMM
CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1	ZINC000024225314	570973235	/nfs/dbraw/zinc/97/32/35/570973235.db2.gz	FLBNITZIESIMQS-UHFFFAOYSA-N	-1	1	359.369	4.257	50	0		FIAAMM
Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1	ZINC000072301039	571054523	/nfs/dbraw/zinc/05/45/23/571054523.db2.gz	BOJJAAFFHXCVPP-CMDGGOBGSA-N	-1	1	357.353	4.132	50	0		FIAAMM
CCCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1	ZINC000012740483	571063104	/nfs/dbraw/zinc/06/31/04/571063104.db2.gz	IRARHSYDGZNSKJ-UHFFFAOYSA-N	-1	1	360.479	4.233	50	0		FIAAMM
CCc1ccc([O-])c(C(=O)c2cnc3cc(-c4ccc(C)cc4)nn3c2)c1	ZINC000013828391	571121566	/nfs/dbraw/zinc/12/15/66/571121566.db2.gz	UERIZQUMFRZJSF-UHFFFAOYSA-N	-1	1	357.413	4.204	50	0		FIAAMM
C[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3c2C1	ZINC000000944104	571136092	/nfs/dbraw/zinc/13/60/92/571136092.db2.gz	QZGYOSUZJHMTFP-GFCCVEGCSA-N	-1	1	359.422	4.498	50	0		FIAAMM
NC(=O)c1cc2ccc([O-])cc2o/c1=N\c1ccc(Oc2ccccc2)cc1	ZINC000000999710	571142176	/nfs/dbraw/zinc/14/21/76/571142176.db2.gz	ANERHADTEDYVFM-GYHWCHFESA-N	-1	1	372.380	4.262	50	0		FIAAMM
CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2ccno2)sc1C	ZINC000075436481	571178639	/nfs/dbraw/zinc/17/86/39/571178639.db2.gz	RIOVJLVPNVRYJR-UHFFFAOYSA-N	-1	1	362.476	4.383	50	0		FIAAMM
Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3C)c(C)s2)c1C	ZINC000075435362	571178921	/nfs/dbraw/zinc/17/89/21/571178921.db2.gz	SPLIQAHPYCMHLN-UHFFFAOYSA-N	-1	1	362.476	4.438	50	0		FIAAMM
COC(=O)c1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCC2)cc1	ZINC000071284379	571269895	/nfs/dbraw/zinc/26/98/95/571269895.db2.gz	MBGNIEMSIZWLMZ-MRXNPFEDSA-N	-1	1	371.462	4.377	50	0		FIAAMM
Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3c(C)cccc3C)c2)on1	ZINC000020580098	571331304	/nfs/dbraw/zinc/33/13/04/571331304.db2.gz	VFLBEKSCOXYONP-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1cccc(F)c1	ZINC000021033968	571332324	/nfs/dbraw/zinc/33/23/24/571332324.db2.gz	UZIAHUMGHJJJEH-UHFFFAOYSA-N	-1	1	372.421	4.467	50	0		FIAAMM
O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@@H](c1ccco1)CC(=O)O2	ZINC000096115101	571334439	/nfs/dbraw/zinc/33/44/39/571334439.db2.gz	PVSQTOIIUCMCGI-CYBMUJFWSA-N	-1	1	374.348	4.200	50	0	biogenic	FIAAMM
CCOC(=O)NC(=S)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000001040869	203975335	/nfs/dbraw/zinc/97/53/35/203975335.db2.gz	BOFIDFLVICEYBZ-UHFFFAOYSA-N	-1	1	360.279	4.167	50	0		FIAAMM
O=C(Nc1cc2ccc([O-])cc2oc1=O)c1ccc(Cl)cc1Cl	ZINC000001391220	204003538	/nfs/dbraw/zinc/00/35/38/204003538.db2.gz	LXDWFOQLQYYPJI-UHFFFAOYSA-N	-1	1	350.157	4.058	50	0		FIAAMM
CCCCCn1c([O-])c(C(=O)Nc2ccccc2F)c(=O)c2ccccc21	ZINC000002587676	204044978	/nfs/dbraw/zinc/04/49/78/204044978.db2.gz	GEFRZFSCUVHZFK-UHFFFAOYSA-N	-1	1	368.408	4.289	50	0		FIAAMM
O=S(=O)([N-]c1cccc(Br)c1)c1ccc(F)c(Cl)c1	ZINC000002643897	204048466	/nfs/dbraw/zinc/04/84/66/204048466.db2.gz	KOOHPQLYSJBLRV-UHFFFAOYSA-N	-1	1	364.623	4.042	50	0		FIAAMM
O=c1[n-]nc(SCc2ccc(Cl)cc2Cl)n1-c1ccccc1	ZINC000002863168	204063251	/nfs/dbraw/zinc/06/32/51/204063251.db2.gz	GIUASTJQMJSJMF-UHFFFAOYSA-N	-1	1	352.246	4.160	50	0		FIAAMM
CCCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(OC)c2)cc1	ZINC000004809329	204164728	/nfs/dbraw/zinc/16/47/28/204164728.db2.gz	WHUSUUGPCYEJQA-UHFFFAOYSA-N	-1	1	369.870	4.328	50	0		FIAAMM
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1	ZINC000007005612	204285590	/nfs/dbraw/zinc/28/55/90/204285590.db2.gz	BHSWGCUBZMFMLB-UHFFFAOYSA-N	-1	1	374.437	4.461	50	0		FIAAMM
Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)cs1	ZINC000007109240	204289071	/nfs/dbraw/zinc/28/90/71/204289071.db2.gz	QKCPOFWINXRIME-UHFFFAOYSA-N	-1	1	366.414	4.198	50	0		FIAAMM
CC(C)Cn1c2ccccc2nc1SCC(=O)c1ccc([O-])cc1O	ZINC000008777379	204346669	/nfs/dbraw/zinc/34/66/69/204346669.db2.gz	KWPPJAPHFLLOKM-UHFFFAOYSA-N	-1	1	356.447	4.079	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3c(c2)CCC3)c1	ZINC000009313756	204362088	/nfs/dbraw/zinc/36/20/88/204362088.db2.gz	PJYCKDCFXQUQBR-UHFFFAOYSA-N	-1	1	364.474	4.044	50	0		FIAAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2	ZINC000018164139	204662111	/nfs/dbraw/zinc/66/21/11/204662111.db2.gz	VYUOXCWFINSTQD-SECBINFHSA-N	-1	1	355.341	4.047	50	0		FIAAMM
CCCCc1nnc([N-]C(=O)c2cc3c(nc4sccn34)s2)s1	ZINC000023364218	204802628	/nfs/dbraw/zinc/80/26/28/204802628.db2.gz	AIIOVIKTHPGRKI-UHFFFAOYSA-N	-1	1	363.493	4.057	50	0		FIAAMM
CCOc1ccccc1-c1nc(CSc2nc(C)c(C)c(=O)[n-]2)c(C)o1	ZINC000045924749	205126223	/nfs/dbraw/zinc/12/62/23/205126223.db2.gz	WCUQSCLCYZDXOG-UHFFFAOYSA-N	-1	1	371.462	4.041	50	0		FIAAMM
CCOc1ccc(NC(=O)[C@@H](C)n2c(=S)[n-]nc2-c2cccs2)cc1	ZINC000058392697	205274741	/nfs/dbraw/zinc/27/47/41/205274741.db2.gz	KTKFGNIVPRIHQW-LLVKDONJSA-N	-1	1	374.491	4.268	50	0		FIAAMM
CC(C)Oc1ccc(-c2cc(C(=O)[N-]c3nnc(C(C)C)s3)no2)cc1	ZINC000061997179	205290494	/nfs/dbraw/zinc/29/04/94/205290494.db2.gz	VDBCRHJYAUJZJK-UHFFFAOYSA-N	-1	1	372.450	4.356	50	0		FIAAMM
Cc1ccc(C)c(NC(=O)[C@@H](C)n2c(-c3cccs3)n[n-]c2=S)c1	ZINC000064334196	205296842	/nfs/dbraw/zinc/29/68/42/205296842.db2.gz	GEPAAGSGSGUKEN-GFCCVEGCSA-N	-1	1	358.492	4.486	50	0		FIAAMM
CCOc1cccc(NC(=O)[C@@H](C)n2c(=S)[n-]nc2-c2cccs2)c1	ZINC000058434035	205276043	/nfs/dbraw/zinc/27/60/43/205276043.db2.gz	HDWWRHVEYXNKCU-LLVKDONJSA-N	-1	1	374.491	4.268	50	0		FIAAMM
Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccccc2F)on1	ZINC000064845394	205307444	/nfs/dbraw/zinc/30/74/44/205307444.db2.gz	ADQCOQLPEXYHPZ-UHFFFAOYSA-N	-1	1	366.439	4.268	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(C)c2)on1	ZINC000064979616	205312248	/nfs/dbraw/zinc/31/22/48/205312248.db2.gz	ZHNZYUSNGYXSBW-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
CCc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2C)cc1	ZINC000064979630	205313109	/nfs/dbraw/zinc/31/31/09/205313109.db2.gz	BUFSRWNGXCODTB-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)c(C)c2)on1	ZINC000064979654	205313233	/nfs/dbraw/zinc/31/32/33/205313233.db2.gz	ZEFXALARDCISCS-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
CCc1ccc(NC(=O)[C@@H](C)n2c(=S)[n-]nc2-c2cccs2)cc1	ZINC000065492751	205354986	/nfs/dbraw/zinc/35/49/86/205354986.db2.gz	WBVSOEJLTFEGPO-LLVKDONJSA-N	-1	1	358.492	4.431	50	0		FIAAMM
CC1(C)Cc2c(sc3[n-]c(-c4cc5ccccc5o4)nc(=O)c23)CO1	ZINC000002295942	206154568	/nfs/dbraw/zinc/15/45/68/206154568.db2.gz	XJQCSTRGANJXLN-UHFFFAOYSA-N	-1	1	352.415	4.249	50	0		FIAAMM
O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1c(F)cccc1F	ZINC000004072465	206166159	/nfs/dbraw/zinc/16/61/59/206166159.db2.gz	HUJCEGYAUXAAFA-UHFFFAOYSA-N	-1	1	351.765	4.389	50	0		FIAAMM
CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1	ZINC000002662156	206229426	/nfs/dbraw/zinc/22/94/26/206229426.db2.gz	UWTRDPBLLBVTKH-UHFFFAOYSA-N	-1	1	351.427	4.357	50	0		FIAAMM
C/C=C/C=C/C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000012536018	206291431	/nfs/dbraw/zinc/29/14/31/206291431.db2.gz	ZRWXFSUDGNQBDB-UMCKCUICSA-N	-1	1	370.474	4.175	50	0		FIAAMM
O=S(=O)([N-]c1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1	ZINC000000861660	570461472	/nfs/dbraw/zinc/46/14/72/570461472.db2.gz	AKSLAHQXECQZQB-UHFFFAOYSA-N	-1	1	350.399	4.296	50	0		FIAAMM
O=C(Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1)c1ccccc1[O-]	ZINC000001033937	570472868	/nfs/dbraw/zinc/47/28/68/570472868.db2.gz	QYXCQYMEVSJDHC-UHFFFAOYSA-N	-1	1	368.339	4.175	50	0		FIAAMM
CSc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1	ZINC000001160232	570485531	/nfs/dbraw/zinc/48/55/31/570485531.db2.gz	KZYUHNSMYRDTKW-UHFFFAOYSA-N	-1	1	355.484	4.461	50	0	aggregator	FIAAMM
CN(Cc1ccc(C(F)(F)F)cc1)Cc1nc(=O)c2sccc2[n-]1	ZINC000034889418	570561536	/nfs/dbraw/zinc/56/15/36/570561536.db2.gz	QXWVMJPYAXZMCO-UHFFFAOYSA-N	-1	1	353.369	4.048	50	0		FIAAMM
CCCCCc1nnc([N-]C(=O)c2cc(-c3ccccc3OC)on2)s1	ZINC000032830386	570818748	/nfs/dbraw/zinc/81/87/48/570818748.db2.gz	SDLRDXJWQGPJHA-UHFFFAOYSA-N	-1	1	372.450	4.187	50	0		FIAAMM
Cc1cc(C)c2nc(Nc3nc(-c4ccccc4)cc(=O)[n-]3)nc(C)c2c1	ZINC000018158919	570875633	/nfs/dbraw/zinc/87/56/33/570875633.db2.gz	JIGWMNRWIILAAP-UHFFFAOYSA-N	-1	1	357.417	4.049	50	0		FIAAMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000020442836	570915924	/nfs/dbraw/zinc/91/59/24/570915924.db2.gz	GFOFXQXMRNMTAV-QGZVFWFLSA-N	-1	1	371.820	4.112	50	0		FIAAMM
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc2ccccc2cc1[O-]	ZINC000024226192	570972977	/nfs/dbraw/zinc/97/29/77/570972977.db2.gz	TVZVTAJKBMGARA-UHFFFAOYSA-N	-1	1	371.440	4.062	50	0		FIAAMM
Cc1c(C(=O)N[C@@H](C)CCC(C)C)sc2[n-]c(-c3ccco3)nc(=O)c12	ZINC000024864971	570984710	/nfs/dbraw/zinc/98/47/10/570984710.db2.gz	NHIDWUQOVUDRAW-NSHDSACASA-N	-1	1	373.478	4.108	50	0		FIAAMM
CC(C)CN1C(=S)SC(C)(C)[C@H]1N([O-])C(=O)Nc1ccccc1	ZINC000000850728	571093565	/nfs/dbraw/zinc/09/35/65/571093565.db2.gz	RYCLNNRJHLFXOK-CYBMUJFWSA-N	-1	1	353.513	4.004	50	0		FIAAMM
CCc1ccccc1NC(=O)[C@@H](C)n1c(=S)[n-]nc1-c1cccs1	ZINC000069562055	571099358	/nfs/dbraw/zinc/09/93/58/571099358.db2.gz	ZEYKMAUWEKKEFW-LLVKDONJSA-N	-1	1	358.492	4.431	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2C)cc1	ZINC000012851857	571128630	/nfs/dbraw/zinc/12/86/30/571128630.db2.gz	XYONMBVOKDMSPF-UHFFFAOYSA-N	-1	1	352.463	4.253	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(C)c(F)c2)c1	ZINC000012861069	571130048	/nfs/dbraw/zinc/13/00/48/571130048.db2.gz	XHIYKWPVGVMCEI-UHFFFAOYSA-N	-1	1	370.453	4.392	50	0		FIAAMM
CCc1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[n-]c2=S)cc1	ZINC000012894416	571142639	/nfs/dbraw/zinc/14/26/39/571142639.db2.gz	SQGURCWXJQRDEA-UHFFFAOYSA-N	-1	1	352.463	4.117	50	0		FIAAMM
CCc1cccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[n-]c2=S)c1	ZINC000012993386	571186337	/nfs/dbraw/zinc/18/63/37/571186337.db2.gz	OPVYFAQHNHIZSV-UHFFFAOYSA-N	-1	1	352.463	4.117	50	0		FIAAMM
Cc1ccc(CN2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)o1	ZINC000082146404	571229388	/nfs/dbraw/zinc/22/93/88/571229388.db2.gz	XMDWMGVLSOVBDG-UHFFFAOYSA-N	-1	1	365.429	4.239	50	0		FIAAMM
Cc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[n-]c2=S)c(F)c1	ZINC000095392605	571329232	/nfs/dbraw/zinc/32/92/32/571329232.db2.gz	JITQXFQLOCEHKG-SNVBAGLBSA-N	-1	1	362.455	4.316	50	0		FIAAMM
Cc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1C	ZINC000020580536	571331290	/nfs/dbraw/zinc/33/12/90/571331290.db2.gz	PDWVIIDKVHEYTJ-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
O=S(=O)([N-]c1ccccc1)c1ccc(Br)c2ccccc21	ZINC000002865669	204065055	/nfs/dbraw/zinc/06/50/55/204065055.db2.gz	JSSZPNWQCNMQOL-UHFFFAOYSA-N	-1	1	362.248	4.403	50	0		FIAAMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)cc1	ZINC000002643396	204049312	/nfs/dbraw/zinc/04/93/12/204049312.db2.gz	DEXICUPGVWFNNB-UHFFFAOYSA-N	-1	1	367.426	4.482	50	0		FIAAMM
O=c1[n-]c(=S)[nH]c(C(F)(F)F)c1Cc1ccc(Cl)c(Cl)c1	ZINC000005176574	204195957	/nfs/dbraw/zinc/19/59/57/204195957.db2.gz	HIICDQMNEATDOX-UHFFFAOYSA-N	-1	1	355.168	4.387	50	0		FIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1	ZINC000006623258	204257160	/nfs/dbraw/zinc/25/71/60/204257160.db2.gz	XJZXTUZMAOKIEE-UHFFFAOYSA-N	-1	1	365.760	4.168	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)cc1	ZINC000007360867	204295466	/nfs/dbraw/zinc/29/54/66/204295466.db2.gz	SBBQTNKKULTWKN-UHFFFAOYSA-N	-1	1	366.442	4.048	50	0		FIAAMM
O=C([O-])c1c(CNCc2ccco2)c2ccccc2n1Cc1ccccc1	ZINC000006803243	204271145	/nfs/dbraw/zinc/27/11/45/204271145.db2.gz	VJZWACCTTOUPBK-UHFFFAOYSA-N	-1	1	360.413	4.271	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(Br)c1	ZINC000006820312	204275337	/nfs/dbraw/zinc/27/53/37/204275337.db2.gz	WLPQPCXONRTSOY-UHFFFAOYSA-N	-1	1	366.689	4.273	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(C)c2C)c1	ZINC000009579162	204374376	/nfs/dbraw/zinc/37/43/76/204374376.db2.gz	HIQADSMNVMBUID-UHFFFAOYSA-N	-1	1	352.463	4.172	50	0		FIAAMM
Cc1nc(-c2ccc(C)cc2)c(CC(=O)[N-]OCc2ccccc2)s1	ZINC000025282930	204834211	/nfs/dbraw/zinc/83/42/11/204834211.db2.gz	GUKVZRTXPAYWCX-UHFFFAOYSA-N	-1	1	352.459	4.217	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(F)ccc2C)cc1	ZINC000055544631	205220865	/nfs/dbraw/zinc/22/08/65/205220865.db2.gz	VKZFPFBPVHXNKB-UHFFFAOYSA-N	-1	1	356.426	4.002	50	0		FIAAMM
Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)s2)o1	ZINC000065003950	205314365	/nfs/dbraw/zinc/31/43/65/205314365.db2.gz	IEOCMYHVCUEPOS-UHFFFAOYSA-N	-1	1	354.840	4.166	50	0		FIAAMM
Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2ccc(C)cc2F)s1	ZINC000065183538	205321417	/nfs/dbraw/zinc/32/14/17/205321417.db2.gz	IBWVTYHKJBIBCU-UHFFFAOYSA-N	-1	1	367.471	4.076	50	0		FIAAMM
Cc1ccc(C)c(NC(=O)[C@H](C)n2c(-c3cccs3)n[n-]c2=S)c1	ZINC000065475956	205353655	/nfs/dbraw/zinc/35/36/55/205353655.db2.gz	GEPAAGSGSGUKEN-LBPRGKRZSA-N	-1	1	358.492	4.486	50	0		FIAAMM
CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000002744697	206230678	/nfs/dbraw/zinc/23/06/78/206230678.db2.gz	GGHZLMAZPQENQZ-UHFFFAOYSA-N	-1	1	368.296	4.375	50	0		FIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C3CC3)n2)ccc1C	ZINC000033269659	568477405	/nfs/dbraw/zinc/47/74/05/568477405.db2.gz	VVNVXAUSXNKFMU-UHFFFAOYSA-N	-1	1	369.446	4.032	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1	ZINC000000670384	570446244	/nfs/dbraw/zinc/44/62/44/570446244.db2.gz	PEAHMAMASZZAPP-UHFFFAOYSA-N	-1	1	360.660	4.212	50	0		FIAAMM
CC(C)N1C(=S)SC(C)(C)[C@H]1N([O-])C(=O)Nc1cccc(Cl)c1	ZINC000001030562	570472455	/nfs/dbraw/zinc/47/24/55/570472455.db2.gz	ZIXCHNCJLHMYDV-GFCCVEGCSA-N	-1	1	373.931	4.410	50	0		FIAAMM
O=C(Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccc2c(c1)OCO2	ZINC000012856660	570765606	/nfs/dbraw/zinc/76/56/06/570765606.db2.gz	CDNYXBAVRXLALQ-UHFFFAOYSA-N	-1	1	374.352	4.181	50	0		FIAAMM
CCCc1nnc([N-]C(=O)c2csc(COc3ccc(C)cc3)n2)s1	ZINC000014201288	570812742	/nfs/dbraw/zinc/81/27/42/570812742.db2.gz	OUJOKCUPLGSTGC-UHFFFAOYSA-N	-1	1	374.491	4.087	50	0		FIAAMM
Cc1ccc(-c2cc(=O)[n-]c(Nc3nc(C)c4ccc(C)cc4n3)n2)cc1	ZINC000016626477	570859094	/nfs/dbraw/zinc/85/90/94/570859094.db2.gz	IBONWQHGIQBFQC-UHFFFAOYSA-N	-1	1	357.417	4.049	50	0		FIAAMM
CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1	ZINC000021615653	570931811	/nfs/dbraw/zinc/93/18/11/570931811.db2.gz	WFFRUJFVEQAKEA-CYBMUJFWSA-N	-1	1	372.519	4.063	50	0		FIAAMM
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(C)=O)c2)cc1	ZINC000023054867	570955488	/nfs/dbraw/zinc/95/54/88/570955488.db2.gz	XFIBNWAMGQBIKJ-LBPRGKRZSA-N	-1	1	364.442	4.098	50	0		FIAAMM
COc1ccc2cc(CN(C)Cc3nc(=O)c4sccc4[n-]3)ccc2c1	ZINC000012684427	571044368	/nfs/dbraw/zinc/04/43/68/571044368.db2.gz	QXCYDYUCHVPPHX-UHFFFAOYSA-N	-1	1	365.458	4.191	50	0		FIAAMM
O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000012780168	571097996	/nfs/dbraw/zinc/09/79/96/571097996.db2.gz	RAYBBDCONAOBQI-GOSISDBHSA-N	-1	1	374.440	4.036	50	0		FIAAMM
CCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc21	ZINC000000879747	571113309	/nfs/dbraw/zinc/11/33/09/571113309.db2.gz	GUZWTJDZMTXEAZ-UHFFFAOYSA-N	-1	1	373.430	4.027	50	0		FIAAMM
CN(Cc1c(F)cccc1Cl)C(=O)c1cc(Br)ccc1[O-]	ZINC000012931289	571147016	/nfs/dbraw/zinc/14/70/16/571147016.db2.gz	FGGPPXFREBTITN-UHFFFAOYSA-N	-1	1	372.621	4.219	50	0		FIAAMM
O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccccn1	ZINC000006080128	571151026	/nfs/dbraw/zinc/15/10/26/571151026.db2.gz	HHKUKIDPPYTJJQ-IBGZPJMESA-N	-1	1	374.371	4.004	50	0		FIAAMM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1)c1ccccn1	ZINC000006080128	571151027	/nfs/dbraw/zinc/15/10/27/571151027.db2.gz	HHKUKIDPPYTJJQ-IBGZPJMESA-N	-1	1	374.371	4.004	50	0		FIAAMM
COc1cc(C)c(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1C(C)C	ZINC000072414252	571158910	/nfs/dbraw/zinc/15/89/10/571158910.db2.gz	HYPYNGGHNVGHBQ-UHFFFAOYSA-N	-1	1	370.474	4.476	50	0		FIAAMM
CSc1nc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2s1	ZINC000033298807	571231015	/nfs/dbraw/zinc/23/10/15/571231015.db2.gz	OXSLRUQBFDWEDQ-UHFFFAOYSA-N	-1	1	364.517	4.436	50	0		FIAAMM
CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3C)cc2s1	ZINC000033298806	571231098	/nfs/dbraw/zinc/23/10/98/571231098.db2.gz	XLFYTVPTPQAIQN-UHFFFAOYSA-N	-1	1	350.490	4.127	50	0		FIAAMM
Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(CC2CCCC2)s1	ZINC000013330705	571270843	/nfs/dbraw/zinc/27/08/43/571270843.db2.gz	CREFXHGMQMXTBH-UHFFFAOYSA-N	-1	1	368.462	4.487	50	0		FIAAMM
CCc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1)[nH]c1c2C(=O)CCC1	ZINC000020990588	571332115	/nfs/dbraw/zinc/33/21/15/571332115.db2.gz	QZDVEVWGGNEGFR-UHFFFAOYSA-N	-1	1	368.458	4.050	50	0		FIAAMM
Cc1cc(F)ccc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[n-]c1=S	ZINC000095957173	571332945	/nfs/dbraw/zinc/33/29/45/571332945.db2.gz	BYXWTNLXEGNSII-SNVBAGLBSA-N	-1	1	362.455	4.316	50	0		FIAAMM
O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@H](c1ccco1)CC(=O)O2	ZINC000096115100	571334451	/nfs/dbraw/zinc/33/44/51/571334451.db2.gz	PVSQTOIIUCMCGI-ZDUSSCGKSA-N	-1	1	374.348	4.200	50	0	biogenic	FIAAMM
CCCc1n[n-]c(=S)n1CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2	ZINC000030993215	571350197	/nfs/dbraw/zinc/35/01/97/571350197.db2.gz	BAOJRCBODHUTOP-UHFFFAOYSA-N	-1	1	364.474	4.103	50	0		FIAAMM
COc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)c([O-])c1	ZINC000031812765	571353838	/nfs/dbraw/zinc/35/38/38/571353838.db2.gz	WFUFTHFTWGHABZ-UHFFFAOYSA-N	-1	1	362.357	4.055	50	0		FIAAMM
CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2)cc1	ZINC000010213974	204000362	/nfs/dbraw/zinc/00/03/62/204000362.db2.gz	ZEZRFEYJQSXVCP-UHFFFAOYSA-N	-1	1	368.462	4.035	50	0		FIAAMM
CC(C)CCn1c([O-])c(C(=O)Nc2cccc(F)c2)c(=O)c2ccccc21	ZINC000002291454	204032259	/nfs/dbraw/zinc/03/22/59/204032259.db2.gz	AUYPJRWOMRAUMQ-UHFFFAOYSA-N	-1	1	368.408	4.145	50	0		FIAAMM
CCCCn1c(C)c(C(=O)OCC)c2cc([O-])c(Br)cc21	ZINC000003154116	204079424	/nfs/dbraw/zinc/07/94/24/204079424.db2.gz	FTIKBNDSPGUPTN-UHFFFAOYSA-N	-1	1	354.244	4.395	50	0		FIAAMM
O=c1cc(-c2ccccc2)nc(SCCOc2ccc(Cl)cc2)[n-]1	ZINC000005118783	204192617	/nfs/dbraw/zinc/19/26/17/204192617.db2.gz	FTXRXVCLEQIZKC-UHFFFAOYSA-N	-1	1	358.850	4.261	50	0		FIAAMM
O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccc([O-])cc1	ZINC000007299170	204294455	/nfs/dbraw/zinc/29/44/55/204294455.db2.gz	DEIWEASZMBLORE-UHFFFAOYSA-N	-1	1	369.421	4.100	50	0		FIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Cl	ZINC000007428347	204297616	/nfs/dbraw/zinc/29/76/16/204297616.db2.gz	BKMVBKMTTSEIRJ-UHFFFAOYSA-N	-1	1	365.760	4.168	50	0		FIAAMM
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccccc1C	ZINC000006887819	204279085	/nfs/dbraw/zinc/27/90/85/204279085.db2.gz	MTEPWRDTQCUFHD-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
Cc1cccc(Nc2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)c1	ZINC000007882906	204310619	/nfs/dbraw/zinc/31/06/19/204310619.db2.gz	ZMVIRHNZQDMDOK-HNNXBMFYSA-N	-1	1	373.865	4.087	50	0		FIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1OCC	ZINC000007927721	204311842	/nfs/dbraw/zinc/31/18/42/204311842.db2.gz	BBRBOWJLEDMUDJ-UHFFFAOYSA-N	-1	1	369.870	4.247	50	0		FIAAMM
O=S(=O)([N-][C@@H](c1cccs1)C1CC1)c1c(Cl)cccc1Cl	ZINC000010683153	204399797	/nfs/dbraw/zinc/39/97/97/204399797.db2.gz	KRYARFXJUKFJCP-CYBMUJFWSA-N	-1	1	362.303	4.485	50	0		FIAAMM
CCc1ccc(Cc2nnc([N-]C(=O)c3nc4ccccc4s3)o2)cc1	ZINC000036658024	204382053	/nfs/dbraw/zinc/38/20/53/204382053.db2.gz	JZNUXMXCOMJONN-UHFFFAOYSA-N	-1	1	364.430	4.085	50	0		FIAAMM
CC(C)c1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1	ZINC000009954625	204387503	/nfs/dbraw/zinc/38/75/03/204387503.db2.gz	RSTWOOCMWZBDJD-UHFFFAOYSA-N	-1	1	358.492	4.431	50	0		FIAAMM
O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1ccc(C(F)(F)F)cc1	ZINC000040146683	205059678	/nfs/dbraw/zinc/05/96/78/205059678.db2.gz	DNESCQGSLOVNCC-UHFFFAOYSA-N	-1	1	368.336	4.161	50	0		FIAAMM
CCc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2C)c1	ZINC000064979673	205312635	/nfs/dbraw/zinc/31/26/35/205312635.db2.gz	QKNRQMTUVIUSGI-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
CSc1ccc(C(=O)[N-]c2nnc(SCc3cccs3)s2)o1	ZINC000112393282	206088016	/nfs/dbraw/zinc/08/80/16/206088016.db2.gz	LGRIRUDYVWXRLF-UHFFFAOYSA-N	-1	1	369.518	4.459	50	0		FIAAMM
CC1(C)C[C@]2(C[C@@H](c3ccccc3)c3cc(Cl)c([O-])cc3O2)NC(=O)N1	ZINC000004671252	206182506	/nfs/dbraw/zinc/18/25/06/206182506.db2.gz	CUNYRZOIZZZCMK-VBKZILBWSA-N	-1	1	372.852	4.138	50	0		FIAAMM
CC(=O)c1cccc(NC(=O)c2c[n-]c3c(cccc3C(F)(F)F)c2=O)c1	ZINC000012421871	206290566	/nfs/dbraw/zinc/29/05/66/206290566.db2.gz	DDTKLDRMUIXWLN-UHFFFAOYSA-N	-1	1	374.318	4.414	50	0		FIAAMM
COc1ccccc1NC(=O)c1c[n-]c2c(cccc2C(F)(F)F)c1=O	ZINC000012421845	206289994	/nfs/dbraw/zinc/28/99/94/206289994.db2.gz	REMWWGPPRSJHJE-UHFFFAOYSA-N	-1	1	362.307	4.220	50	0		FIAAMM
CCOc1ccccc1NC(=O)[C@@H](C)n1c(=S)[n-]nc1-c1cccs1	ZINC000058421701	221118631	/nfs/dbraw/zinc/11/86/31/221118631.db2.gz	DMZOSBFZVQCUEW-LLVKDONJSA-N	-1	1	374.491	4.268	50	0		FIAAMM
O=c1cc([O-])n(-c2ccccc2)c(=S)n1-c1ccc(Cl)c(Cl)c1	ZINC000101150512	132233621	/nfs/dbraw/zinc/23/36/21/132233621.db2.gz	YZLBECZVRBBQQL-UHFFFAOYSA-N	-1	1	365.241	4.048	50	0		FIAAMM
Cc1cccc2cc(C=C3NC(=S)[N-]C3=O)c(N3CCCCC3)nc12	ZINC000001268313	132381554	/nfs/dbraw/zinc/38/15/54/132381554.db2.gz	HBIPMQHSYGODKA-PTNGSMBKSA-N	-1	1	352.463	4.130	50	0		FIAAMM
CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1	ZINC000000628049	570440112	/nfs/dbraw/zinc/44/01/12/570440112.db2.gz	LSUGPXUGQCGABW-UHFFFAOYSA-N	-1	1	360.262	4.365	50	0		FIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)S3)c1	ZINC000000937409	570464493	/nfs/dbraw/zinc/46/44/93/570464493.db2.gz	YDUVSTKLKIROKF-UHFFFAOYSA-N	-1	1	355.440	4.195	50	0		FIAAMM
COC(=O)NC(=S)[N-]c1ccc(Oc2cccc3cccnc32)cc1	ZINC000000992524	570468944	/nfs/dbraw/zinc/46/89/44/570468944.db2.gz	VQEOIMVHDIENQS-UHFFFAOYSA-N	-1	1	353.403	4.080	50	0		FIAAMM
O=c1c2c(C(F)(F)F)cc(-c3ccccc3)[n-]c-2nn1-c1ccccc1	ZINC000001066504	570478609	/nfs/dbraw/zinc/47/86/09/570478609.db2.gz	FTWYAMBQJHDZFC-UHFFFAOYSA-N	-1	1	355.319	4.400	50	0		FIAAMM
COc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1	ZINC000001210605	570493261	/nfs/dbraw/zinc/49/32/61/570493261.db2.gz	QUUURBMUPFQWSK-UHFFFAOYSA-N	-1	1	360.369	4.461	50	0	biogenic	FIAAMM
O=c1cc(-c2ccccc2)nc(SCCOc2ccccc2Cl)[n-]1	ZINC000012731414	570758692	/nfs/dbraw/zinc/75/86/92/570758692.db2.gz	BRJNBEJHGRANPE-UHFFFAOYSA-N	-1	1	358.850	4.261	50	0		FIAAMM
CCCc1cc(=O)[n-]c(S[C@@H](C(=O)NC2CCCC2)c2ccccc2)n1	ZINC000013945435	570798560	/nfs/dbraw/zinc/79/85/60/570798560.db2.gz	BPIZMXKFKOGNBE-GOSISDBHSA-N	-1	1	371.506	4.027	50	0		FIAAMM
CCOc1cc2cc(C(=O)c3cc(C)ccc3[O-])cnc2cc1OCC	ZINC000014128755	570807597	/nfs/dbraw/zinc/80/75/97/570807597.db2.gz	OTDRWRAXPYRHOD-UHFFFAOYSA-N	-1	1	351.402	4.277	50	0		FIAAMM
Cc1cccc(C)c1OCCOc1ccccc1C=C1SC(=O)[N-]C1=O	ZINC000015800555	570843886	/nfs/dbraw/zinc/84/38/86/570843886.db2.gz	BGMSQKFKQZXUTO-ATVHPVEESA-N	-1	1	369.442	4.085	50	0		FIAAMM
CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000048355036	570950450	/nfs/dbraw/zinc/95/04/50/570950450.db2.gz	PMLCYQWGPUHNGV-UHFFFAOYSA-N	-1	1	370.430	4.209	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(F)c2)c1	ZINC000024987286	570988299	/nfs/dbraw/zinc/98/82/99/570988299.db2.gz	ATYBLIMEPBJQSQ-UHFFFAOYSA-N	-1	1	356.426	4.084	50	0		FIAAMM
Cc1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1	ZINC000009604251	571114927	/nfs/dbraw/zinc/11/49/27/571114927.db2.gz	LEZNJSFTJBHQIB-UHFFFAOYSA-N	-1	1	358.854	4.208	50	0		FIAAMM
O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2c(F)cccc2c1[O-]	ZINC000015828800	571130044	/nfs/dbraw/zinc/13/00/44/571130044.db2.gz	CXKWUIIGAWWZHZ-UHFFFAOYSA-N	-1	1	372.204	4.219	50	0		FIAAMM
O=c1[n-]c(-c2cccs2)nc2c1sc(=S)n2Cc1ccccc1	ZINC000001078483	571145628	/nfs/dbraw/zinc/14/56/28/571145628.db2.gz	QLDOPGRSITVFKA-UHFFFAOYSA-N	-1	1	357.485	4.292	50	0		FIAAMM
CSc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2s1	ZINC000016153965	571153968	/nfs/dbraw/zinc/15/39/68/571153968.db2.gz	OOHANUXBFOOXTE-UHFFFAOYSA-N	-1	1	372.443	4.097	50	0		FIAAMM
Cc1cc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3C)c(C)s2)on1	ZINC000075435261	571178881	/nfs/dbraw/zinc/17/88/81/571178881.db2.gz	HJQHKFGDBVTYTF-UHFFFAOYSA-N	-1	1	362.476	4.438	50	0		FIAAMM
Cc1cc(-c2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)c(C)s2)on1	ZINC000075435283	571178915	/nfs/dbraw/zinc/17/89/15/571178915.db2.gz	PYKOQFZDVUESMW-UHFFFAOYSA-N	-1	1	362.476	4.438	50	0		FIAAMM
Cc1[nH]nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)c(C)s2)c1C	ZINC000075467692	571188267	/nfs/dbraw/zinc/18/82/67/571188267.db2.gz	GQATXMLRIVVISW-UHFFFAOYSA-N	-1	1	361.492	4.173	50	0		FIAAMM
O=c1nc([C@@H]2COc3ccccc3O2)[n-]c2scc(-c3cccs3)c21	ZINC000170616532	571268359	/nfs/dbraw/zinc/26/83/59/571268359.db2.gz	DLJGEDZEQGYCTL-ZDUSSCGKSA-N	-1	1	368.439	4.226	50	0		FIAAMM
CCC1=NO[C@H](c2nc(=O)c3c([n-]2)sc(C)c3-c2ccc(F)cc2)C1	ZINC000078807292	571326295	/nfs/dbraw/zinc/32/62/95/571326295.db2.gz	WMKZEZINDXNJTQ-ZDUSSCGKSA-N	-1	1	357.410	4.327	50	0		FIAAMM
Cc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1C	ZINC000020580651	571331288	/nfs/dbraw/zinc/33/12/88/571331288.db2.gz	DGRMQRIEMRIYGM-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c2)on1	ZINC000020580292	571331302	/nfs/dbraw/zinc/33/13/02/571331302.db2.gz	ORVVCPWRIYGFHP-UHFFFAOYSA-N	-1	1	360.410	4.207	50	0		FIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c2cccnc12	ZINC000002455829	204039715	/nfs/dbraw/zinc/03/97/15/204039715.db2.gz	ILARYCNGIBMSAX-UHFFFAOYSA-N	-1	1	362.838	4.088	50	0		FIAAMM
O=C(CC([O-])(C(F)(F)F)C(F)(F)F)Nc1ccc(Cl)cc1Cl	ZINC000002760752	204056231	/nfs/dbraw/zinc/05/62/31/204056231.db2.gz	ODQFRUOLNVOLCW-UHFFFAOYSA-N	-1	1	370.076	4.178	50	0		FIAAMM
Cc1ccc(OCCSc2nc(-c3ccccc3)cc(=O)[n-]2)cc1C	ZINC000005118772	204192654	/nfs/dbraw/zinc/19/26/54/204192654.db2.gz	YXMGOVGTHRMGBT-UHFFFAOYSA-N	-1	1	352.459	4.225	50	0		FIAAMM
Cc1nnc(SC(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)[O-])[nH]1	ZINC000005721339	204221782	/nfs/dbraw/zinc/22/17/82/204221782.db2.gz	INSAVBKVMGKBDP-RIYZIHGNSA-N	-1	1	361.810	4.244	50	0		FIAAMM
Cc1nc(SC(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)[O-])n[nH]1	ZINC000005721339	204221787	/nfs/dbraw/zinc/22/17/87/204221787.db2.gz	INSAVBKVMGKBDP-RIYZIHGNSA-N	-1	1	361.810	4.244	50	0		FIAAMM
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(F)c1	ZINC000007005596	204285693	/nfs/dbraw/zinc/28/56/93/204285693.db2.gz	ZVBXZLRQTOVQRF-UHFFFAOYSA-N	-1	1	360.410	4.152	50	0		FIAAMM
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)co1	ZINC000008600778	204336298	/nfs/dbraw/zinc/33/62/98/204336298.db2.gz	MHSPQXRYQPHNPM-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
CCC(C)(C)c1nnc([N-]C(=O)c2c(C)onc2-c2ccccc2)s1	ZINC000009095465	204354858	/nfs/dbraw/zinc/35/48/58/204354858.db2.gz	GCIIVSGEAVWCLX-UHFFFAOYSA-N	-1	1	356.451	4.441	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc(C(C)C)cs2)c1	ZINC000009503799	204371773	/nfs/dbraw/zinc/37/17/73/204371773.db2.gz	RNVBTYZMRKZUHK-UHFFFAOYSA-N	-1	1	373.507	4.135	50	0		FIAAMM
Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)o1	ZINC000009807717	204383815	/nfs/dbraw/zinc/38/38/15/204383815.db2.gz	MYXUGWKQRPZEBH-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
O=C(Nc1cccc(Cl)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000010464559	204397255	/nfs/dbraw/zinc/39/72/55/204397255.db2.gz	OQAJETYXIUIDOE-UHFFFAOYSA-N	-1	1	358.825	4.172	50	0		FIAAMM
Cc1ccccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)NCc1ccco1	ZINC000067299151	205369211	/nfs/dbraw/zinc/36/92/11/205369211.db2.gz	IHFPBEYQFVHCCV-GYHWCHFESA-N	-1	1	374.396	4.202	50	0		FIAAMM
O=C([O-])c1ccccc1CN1CCc2onc(-c3ccc(Cl)cc3)c2C1	ZINC000067743107	205389162	/nfs/dbraw/zinc/38/91/62/205389162.db2.gz	VVPMRTKWVUIVIU-UHFFFAOYSA-N	-1	1	368.820	4.252	50	0		FIAAMM
Cc1nc(-c2nnc([N-]C(=O)c3cc(Cl)sc3Cl)o2)cs1	ZINC000049029253	206084598	/nfs/dbraw/zinc/08/45/98/206084598.db2.gz	BDGIZHYJFDNMHI-UHFFFAOYSA-N	-1	1	361.235	4.122	50	0		FIAAMM
Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1Cl	ZINC000007053791	206243414	/nfs/dbraw/zinc/24/34/14/206243414.db2.gz	FCEOQMNIIAPWKU-UHFFFAOYSA-N	-1	1	374.245	4.109	50	0		FIAAMM
Cc1cccn2cc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)nc12	ZINC000000629561	570440493	/nfs/dbraw/zinc/44/04/93/570440493.db2.gz	KCIYLAOSWYEYHQ-UHFFFAOYSA-N	-1	1	363.442	4.111	50	0		FIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(Cl)c1Cl	ZINC000000664510	570445343	/nfs/dbraw/zinc/44/53/43/570445343.db2.gz	SYWGJZANMDMALR-UHFFFAOYSA-N	-1	1	360.262	4.420	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1C	ZINC000095067884	570451397	/nfs/dbraw/zinc/45/13/97/570451397.db2.gz	HDUPCEZDHQEYQM-UHFFFAOYSA-N	-1	1	358.232	4.006	50	0		FIAAMM
CC(C)N1C(=S)SC(C)(C)[C@@H]1N([O-])C(=O)Nc1cccc(Cl)c1	ZINC000001030560	570472471	/nfs/dbraw/zinc/47/24/71/570472471.db2.gz	ZIXCHNCJLHMYDV-LBPRGKRZSA-N	-1	1	373.931	4.410	50	0		FIAAMM
Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000001054926	570477757	/nfs/dbraw/zinc/47/77/57/570477757.db2.gz	CNJBINLHOMGHGU-UHFFFAOYSA-N	-1	1	366.442	4.048	50	0		FIAAMM
CCOc1cccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)c1	ZINC000408516579	570564241	/nfs/dbraw/zinc/56/42/41/570564241.db2.gz	HLSZHVTTYUYLNH-UHFFFAOYSA-N	-1	1	370.630	4.459	50	0		FIAAMM
COc1cccc(OCCSc2nc(-c3ccccc3)cc(=O)[n-]2)c1	ZINC000015276802	570836423	/nfs/dbraw/zinc/83/64/23/570836423.db2.gz	BKLJFMFBOQNPCZ-UHFFFAOYSA-N	-1	1	354.431	4.029	50	0		FIAAMM
CCc1sc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1C	ZINC000032898894	570836765	/nfs/dbraw/zinc/83/67/65/570836765.db2.gz	KZBFUWQASBLBCL-UHFFFAOYSA-N	-1	1	357.475	4.060	50	0		FIAAMM
CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCc1cccc(C)c1	ZINC000103721327	570852221	/nfs/dbraw/zinc/85/22/21/570852221.db2.gz	SYIWZXSTUWXTNV-WQRHYEAKSA-N	-1	1	369.442	4.297	50	0		FIAAMM
C[C@H]1CCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1	ZINC000024165008	570972304	/nfs/dbraw/zinc/97/23/04/570972304.db2.gz	QCHGTYSAWGXSCM-LBPRGKRZSA-N	-1	1	357.454	4.435	50	0		FIAAMM
Cc1nc(-c2ccc(F)cc2)c(CC(=O)[N-]OCc2ccccc2)s1	ZINC000025286875	570993053	/nfs/dbraw/zinc/99/30/53/570993053.db2.gz	CZGVTKSQEAKJSJ-UHFFFAOYSA-N	-1	1	356.422	4.048	50	0		FIAAMM
Cc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)cc1	ZINC000012877586	571136789	/nfs/dbraw/zinc/13/67/89/571136789.db2.gz	ZRMRGVKBLRBCKG-UHFFFAOYSA-N	-1	1	352.463	4.253	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2ccccc2)cc1	ZINC000012979148	571180105	/nfs/dbraw/zinc/18/01/05/571180105.db2.gz	KNAUPZTYFHTKJH-HNNXBMFYSA-N	-1	1	366.490	4.184	50	0		FIAAMM
CN(C)[C@@H](Cn1ccnc1-c1ccccc1C(=O)[O-])c1ccccc1Cl	ZINC000072477107	571199327	/nfs/dbraw/zinc/19/93/27/571199327.db2.gz	AOFLLZXCFFRMCA-SFHVURJKSA-N	-1	1	369.852	4.205	50	0		FIAAMM
CN(C)[C@H](Cn1ccnc1-c1ccccc1C(=O)[O-])c1ccccc1Cl	ZINC000072477108	571199361	/nfs/dbraw/zinc/19/93/61/571199361.db2.gz	AOFLLZXCFFRMCA-GOSISDBHSA-N	-1	1	369.852	4.205	50	0		FIAAMM
CCSc1nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2s1	ZINC000033298852	571231115	/nfs/dbraw/zinc/23/11/15/571231115.db2.gz	QTVFBRPONCLRFN-UHFFFAOYSA-N	-1	1	368.480	4.348	50	0		FIAAMM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c1	ZINC000037385913	571283881	/nfs/dbraw/zinc/28/38/81/571283881.db2.gz	YQQOCYKAWVGSKR-UHFFFAOYSA-N	-1	1	354.269	4.175	50	0		FIAAMM
CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccccc2[C@H](O)C(C)C)cc1	ZINC000095444500	571329715	/nfs/dbraw/zinc/32/97/15/571329715.db2.gz	RBPFMFUMYSODKC-HXUWFJFHSA-N	-1	1	361.507	4.375	50	0		FIAAMM
Cc1c(CNCc2ccco2)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1	ZINC000021024701	571332194	/nfs/dbraw/zinc/33/21/94/571332194.db2.gz	KQRQYTQYHQUXDH-UHFFFAOYSA-N	-1	1	358.825	4.329	50	0		FIAAMM
Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)c(C)s2)c1C	ZINC000096323526	571335409	/nfs/dbraw/zinc/33/54/09/571335409.db2.gz	YOBBETXNPSJBKL-UHFFFAOYSA-N	-1	1	366.439	4.268	50	0		FIAAMM
O=S(=O)([N-]c1cccc(-c2nc3ccccc3o2)c1)c1ccccc1	ZINC000001186618	219386782	/nfs/dbraw/zinc/38/67/82/219386782.db2.gz	HCZPXPXSDNBOMF-UHFFFAOYSA-N	-1	1	350.399	4.296	50	0		FIAAMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000001640211	204015590	/nfs/dbraw/zinc/01/55/90/204015590.db2.gz	QCFLGNROEVZQAE-UHFFFAOYSA-N	-1	1	360.660	4.212	50	0		FIAAMM
O=S(=O)([N-]c1ccc(SC(F)F)cc1)c1ccc(F)c(F)c1	ZINC000002637423	204048108	/nfs/dbraw/zinc/04/81/08/204048108.db2.gz	UPEDYMUSESNZJS-UHFFFAOYSA-N	-1	1	351.346	4.080	50	0		FIAAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OC	ZINC000002855121	204063656	/nfs/dbraw/zinc/06/36/56/204063656.db2.gz	DJKXWNHRSJDIDW-UXBLZVDNSA-N	-1	1	374.281	4.186	50	0		FIAAMM
CCCCCc1c(C)nc(Nc2nc(C)c3cc(CC)ccc3n2)[n-]c1=O	ZINC000004702781	204156282	/nfs/dbraw/zinc/15/62/82/204156282.db2.gz	KFTFQTWGKHWPAP-UHFFFAOYSA-N	-1	1	365.481	4.369	50	0		FIAAMM
CCOC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3ccccc3)cc21	ZINC000004735814	204159639	/nfs/dbraw/zinc/15/96/39/204159639.db2.gz	PCFUDZXWPBYSTF-UHFFFAOYSA-N	-1	1	373.430	4.027	50	0		FIAAMM
CCCCCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[n-]c1=O	ZINC000008578797	204334793	/nfs/dbraw/zinc/33/47/93/204334793.db2.gz	YWTAICZEOKCPCH-UHFFFAOYSA-N	-1	1	367.453	4.227	50	0		FIAAMM
CSc1nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2s1	ZINC000008864600	204347518	/nfs/dbraw/zinc/34/75/18/204347518.db2.gz	XWIPACGKJZKZFS-UHFFFAOYSA-N	-1	1	350.490	4.127	50	0		FIAAMM
O=C([O-])c1ccc(-n2cc(CNCc3ccco3)c3ccccc32)s1	ZINC000009740909	204380851	/nfs/dbraw/zinc/38/08/51/204380851.db2.gz	NCUNDEJOMQLKND-UHFFFAOYSA-N	-1	1	352.415	4.273	50	0		FIAAMM
Cc1ccc2nc(Nc3nc(-c4ccccc4C)cc(=O)[n-]3)nc(C)c2c1	ZINC000010157410	204391613	/nfs/dbraw/zinc/39/16/13/204391613.db2.gz	KGIPBCXDCOFVRV-UHFFFAOYSA-N	-1	1	357.417	4.049	50	0		FIAAMM
O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(F)c(Cl)c1	ZINC000010490203	204396891	/nfs/dbraw/zinc/39/68/91/204396891.db2.gz	WPPGCEUSQBTMJP-UHFFFAOYSA-N	-1	1	368.846	4.100	50	0		FIAAMM
Cc1cccc(C(C)C)c1NC(=O)Cc1c(C)c2ccc([O-])cc2oc1=O	ZINC000013681866	204544998	/nfs/dbraw/zinc/54/49/98/204544998.db2.gz	SREVZIKDUNXMKH-UHFFFAOYSA-N	-1	1	365.429	4.420	50	0		FIAAMM
Cc1nc2ccccc2n1CCCNC(=O)c1cc2ccccc2cc1[O-]	ZINC000036660789	205019486	/nfs/dbraw/zinc/01/94/86/205019486.db2.gz	ZOJKNHZSDSNKEY-UHFFFAOYSA-N	-1	1	359.429	4.024	50	0		FIAAMM
CCCc1cc(=O)[n-]c(SCc2nc(-c3ccccc3C)oc2C)n1	ZINC000045924758	205126318	/nfs/dbraw/zinc/12/63/18/205126318.db2.gz	NWBYTCRTYLYHMF-UHFFFAOYSA-N	-1	1	355.463	4.287	50	0		FIAAMM
CCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)cc1	ZINC000063443963	205293061	/nfs/dbraw/zinc/29/30/61/205293061.db2.gz	RBDQAKGGYJAOIV-UHFFFAOYSA-N	-1	1	366.870	4.052	50	0		FIAAMM
O=C([N-]c1nnc(-c2ccc(Cl)s2)o1)c1nc2ccccc2s1	ZINC000002641599	206155621	/nfs/dbraw/zinc/15/56/21/206155621.db2.gz	ZFUCCFJAOWBQPN-UHFFFAOYSA-N	-1	1	362.823	4.314	50	0		FIAAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl	ZINC000001063115	206144992	/nfs/dbraw/zinc/14/49/92/206144992.db2.gz	XGGWOJZMKVFOID-UHFFFAOYSA-N	-1	1	365.760	4.168	50	0		FIAAMM
O=S(=O)([N-]c1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1	ZINC000004036342	206163015	/nfs/dbraw/zinc/16/30/15/206163015.db2.gz	XFYYXLNRNZMKJG-UHFFFAOYSA-N	-1	1	367.455	4.159	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3[nH]2)cc1	ZINC000005322798	206194512	/nfs/dbraw/zinc/19/45/12/206194512.db2.gz	KFYILMBFJHTNJZ-UHFFFAOYSA-N	-1	1	363.442	4.339	50	0		FIAAMM
O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1	ZINC000007709106	206210931	/nfs/dbraw/zinc/21/09/31/206210931.db2.gz	CUMSKCZHNSHARJ-UHFFFAOYSA-N	-1	1	370.396	4.106	50	0		FIAAMM
COc1ccc(OC(F)F)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1	ZINC000170609687	206272679	/nfs/dbraw/zinc/27/26/79/206272679.db2.gz	BBJJDMXAINUVAM-UHFFFAOYSA-N	-1	1	358.728	4.300	50	0		FIAAMM
O=c1cc([O-])n(-c2ccccc2)c(=S)n1-c1cccc(Cl)c1Cl	ZINC000101150057	132233584	/nfs/dbraw/zinc/23/35/84/132233584.db2.gz	ZDEQHCSVADQZPL-UHFFFAOYSA-N	-1	1	365.241	4.048	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(C2CC2)C2CCCCC2)c1	ZINC000065513523	524116493	/nfs/dbraw/zinc/11/64/93/524116493.db2.gz	PUCITLATSNSPPC-UHFFFAOYSA-N	-1	1	370.522	4.240	50	0		FIAAMM
O=S(=O)([N-]c1ccccc1Cl)c1ccc(-c2ccccn2)s1	ZINC000001038126	570474043	/nfs/dbraw/zinc/47/40/43/570474043.db2.gz	ZFDYVPVXKGHOEH-UHFFFAOYSA-N	-1	1	350.852	4.264	50	0		FIAAMM
COc1cccc([N-]S(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)c1	ZINC000001134247	570482893	/nfs/dbraw/zinc/48/28/93/570482893.db2.gz	YWIJNLKRTJVHRU-UHFFFAOYSA-N	-1	1	353.443	4.471	50	0		FIAAMM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C)c(Br)cc2C)c1	ZINC000011613715	570483500	/nfs/dbraw/zinc/48/35/00/570483500.db2.gz	SHDASMLLQBCVKY-UHFFFAOYSA-N	-1	1	368.296	4.484	50	0		FIAAMM
Cc1cc(=O)[n-]c(SCCOc2cccc(Oc3ccccc3)c2)n1	ZINC000014083975	570804190	/nfs/dbraw/zinc/80/41/90/570804190.db2.gz	OBWFJYDBZWULIA-UHFFFAOYSA-N	-1	1	354.431	4.042	50	0		FIAAMM
CCCc1cc(=O)[n-]c(SCC(=O)c2ccc(-c3ccccc3)cc2)n1	ZINC000015379028	570838321	/nfs/dbraw/zinc/83/83/21/570838321.db2.gz	KNRHVSKAJBLCNT-UHFFFAOYSA-N	-1	1	364.470	4.364	50	0		FIAAMM
Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccccc1Cl	ZINC000016122709	570850654	/nfs/dbraw/zinc/85/06/54/570850654.db2.gz	QSCGYTJWDKCWAW-UHFFFAOYSA-N	-1	1	350.871	4.049	50	0		FIAAMM
Cc1nc(N2C[C@H](C)C[C@H](C)C2)[n-]c(=O)c1Cc1cccc2ccccc21	ZINC000016995607	570864883	/nfs/dbraw/zinc/86/48/83/570864883.db2.gz	XBTFTZLIIVSZAI-IYBDPMFKSA-N	-1	1	361.489	4.305	50	0		FIAAMM
Cc1cc2nc(Nc3nc(C)c(CCC(C)C)c(=O)[n-]3)nc(C)c2cc1C	ZINC000018266776	570877930	/nfs/dbraw/zinc/87/79/30/570877930.db2.gz	JRHQYIQGRHRACD-UHFFFAOYSA-N	-1	1	365.481	4.279	50	0		FIAAMM
O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cccc2c1CCCC2	ZINC000022834084	570950807	/nfs/dbraw/zinc/95/08/07/570950807.db2.gz	NBHGXUWTKRPTSP-UHFFFAOYSA-N	-1	1	370.503	4.187	50	0		FIAAMM
O=C(NCc1coc(-c2cccs2)n1)c1cc2ccccc2cc1[O-]	ZINC000010874799	570955267	/nfs/dbraw/zinc/95/52/67/570955267.db2.gz	GGBDKKHWCIVZPJ-UHFFFAOYSA-N	-1	1	350.399	4.192	50	0		FIAAMM
Cc1ccc(CSc2nnc(NC(=O)c3ccccc3[O-])s2)cc1	ZINC000023505342	570964328	/nfs/dbraw/zinc/96/43/28/570964328.db2.gz	PCEZWTISKFWOOO-UHFFFAOYSA-N	-1	1	357.460	4.097	50	0		FIAAMM
O=S(=O)([N-]c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1	ZINC000026544077	571006628	/nfs/dbraw/zinc/00/66/28/571006628.db2.gz	IESPJNZMXZXQPR-UHFFFAOYSA-N	-1	1	357.406	4.206	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(C)c(F)c2)cc1	ZINC000012775655	571094498	/nfs/dbraw/zinc/09/44/98/571094498.db2.gz	QTXJZYLNRZNUBJ-UHFFFAOYSA-N	-1	1	370.453	4.392	50	0		FIAAMM
O=C(c1ccc([O-])cc1)[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21	ZINC000072332622	571123782	/nfs/dbraw/zinc/12/37/82/571123782.db2.gz	OSCKQCVENLJRRE-NFBKMPQASA-N	-1	1	370.408	4.145	50	0		FIAAMM
O=C1C[C@@H](c2ccc([O-])c(Cl)c2)c2cnn(Cc3cccs3)c2N1	ZINC000072405075	571145461	/nfs/dbraw/zinc/14/54/61/571145461.db2.gz	ZLPFEVXOYWULNH-LBPRGKRZSA-N	-1	1	359.838	4.476	50	0		FIAAMM
Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2c(c(=O)[n-]1)CCC2	ZINC000015973847	571148637	/nfs/dbraw/zinc/14/86/37/571148637.db2.gz	LVKSOBNDWLMJCJ-UHFFFAOYSA-N	-1	1	373.865	4.168	50	0		FIAAMM
COc1ccc([C@H]2CCCCCN2Cc2nc(=O)c3sccc3[n-]2)cc1	ZINC000035399944	571168352	/nfs/dbraw/zinc/16/83/52/571168352.db2.gz	MZHVEWCBWWNJKQ-QGZVFWFLSA-N	-1	1	369.490	4.111	50	0		FIAAMM
CCCCN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000012541978	571177657	/nfs/dbraw/zinc/17/76/57/571177657.db2.gz	FRDAILJRETXTHR-UHFFFAOYSA-N	-1	1	374.506	4.058	50	0		FIAAMM
O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)c1ccccc1	ZINC000005528245	571204541	/nfs/dbraw/zinc/20/45/41/571204541.db2.gz	IUBJFODFVSSCQW-UHFFFAOYSA-N	-1	1	372.376	4.427	50	0	aggregator,biogenic	FIAAMM
O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)c1ccccc1	ZINC000005528245	571204543	/nfs/dbraw/zinc/20/45/43/571204543.db2.gz	IUBJFODFVSSCQW-UHFFFAOYSA-N	-1	1	372.376	4.427	50	0	aggregator,biogenic	FIAAMM
COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccccc2)c([O-])c1	ZINC000002217049	571289410	/nfs/dbraw/zinc/28/94/10/571289410.db2.gz	YSLBUUHJTVSAHL-UHFFFAOYSA-N	-1	1	361.323	4.126	50	0		FIAAMM
Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C	ZINC000095468041	571330568	/nfs/dbraw/zinc/33/05/68/571330568.db2.gz	WCWJCQDPMMZOSU-UHFFFAOYSA-N	-1	1	371.453	4.371	50	0		FIAAMM
Cc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1C	ZINC000020580668	571331269	/nfs/dbraw/zinc/33/12/69/571331269.db2.gz	OVQLMLJDWJEHSD-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
CSc1cccc([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)c1	ZINC000021032724	571332207	/nfs/dbraw/zinc/33/22/07/571332207.db2.gz	KWONMULGKZVACR-UHFFFAOYSA-N	-1	1	374.487	4.481	50	0		FIAAMM
CC(C)(C)c1csc(CC2CCN(c3cc(Cl)[n-]c(=O)n3)CC2)n1	ZINC000874434455	1122712487	/nfs/dbraw/zinc/71/24/87/1122712487.db2.gz	OTTVVYLRXJISMD-UHFFFAOYSA-N	-1	1	366.918	4.049	50	0		FIAAMM
O=C(Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1	ZINC000000950624	209384952	/nfs/dbraw/zinc/38/49/52/209384952.db2.gz	QYOBPISPXIUKPV-UHFFFAOYSA-N	-1	1	363.257	4.251	50	0		FIAAMM
C[C@@H]1CCc2c(sc([N-]c3nc4ccc(F)cc4s3)c2C(N)=O)C1	ZINC000004137779	207002480	/nfs/dbraw/zinc/00/24/80/207002480.db2.gz	FXKHCEPUGXTTCI-MRVPVSSYSA-N	-1	1	361.467	4.464	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4[nH]3)c2)cc1	ZINC000006167915	207132716	/nfs/dbraw/zinc/13/27/16/207132716.db2.gz	TZPRITLHFVQGLY-UHFFFAOYSA-N	-1	1	363.442	4.339	50	0		FIAAMM
CCOc1cccc(-c2nc3c(c(=O)[n-]2)Cc2cccc(OCC)c2O3)c1	ZINC000006748455	207159881	/nfs/dbraw/zinc/15/98/81/207159881.db2.gz	UHSVUKVITJCTAA-UHFFFAOYSA-N	-1	1	364.401	4.343	50	0		FIAAMM
CCc1ccc2[n-]cc(S(=O)(=O)c3ccc(C(C)C)cc3)c(=O)c2c1	ZINC000006738173	207158317	/nfs/dbraw/zinc/15/83/17/207158317.db2.gz	TUUKAANTJVCXLA-UHFFFAOYSA-N	-1	1	355.459	4.047	50	0		FIAAMM
CC(C)Oc1cccc(-c2nc3c(c(=O)[n-]2)Cc2cc(F)ccc2O3)c1	ZINC000006748550	207160076	/nfs/dbraw/zinc/16/00/76/207160076.db2.gz	YNSSXMIRKQBOSV-UHFFFAOYSA-N	-1	1	352.365	4.472	50	0		FIAAMM
CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)cc1	ZINC000006957368	207181191	/nfs/dbraw/zinc/18/11/91/207181191.db2.gz	QUFNJDIJEMMFQV-NTEUORMPSA-N	-1	1	359.428	4.452	50	0		FIAAMM
O=C(Nc1ccccc1)C1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1	ZINC000010445226	207300778	/nfs/dbraw/zinc/30/07/78/207300778.db2.gz	VIWFEAQOUOQKAJ-UHFFFAOYSA-N	-1	1	374.440	4.036	50	0		FIAAMM
Cc1cc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc2[nH]1	ZINC000031721892	208015018	/nfs/dbraw/zinc/01/50/18/208015018.db2.gz	MIWCEVGSVJZJED-UHFFFAOYSA-N	-1	1	354.353	4.296	50	0		FIAAMM
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1	ZINC000032926286	208057498	/nfs/dbraw/zinc/05/74/98/208057498.db2.gz	HLMILTWCLSFQRV-HNNXBMFYSA-N	-1	1	355.463	4.187	50	0		FIAAMM
CSc1nc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2s1	ZINC000033298820	208083340	/nfs/dbraw/zinc/08/33/40/208083340.db2.gz	GJGPBJZMAFPRRW-UHFFFAOYSA-N	-1	1	368.480	4.267	50	0		FIAAMM
O=C(/C=C/c1ccccc1)Nc1ccc([O-])c(-c2nc3cnccc3o2)c1	ZINC000036365521	208159622	/nfs/dbraw/zinc/15/96/22/208159622.db2.gz	BHZLFJDESCNTFH-RMKNXTFCSA-N	-1	1	357.369	4.247	50	0		FIAAMM
CCc1c(C)nc(SCc2nc(-c3cccc(C)c3)oc2C)[n-]c1=O	ZINC000045924908	208343300	/nfs/dbraw/zinc/34/33/00/208343300.db2.gz	YFXURAQWKPWXLS-UHFFFAOYSA-N	-1	1	355.463	4.205	50	0		FIAAMM
Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)s2)c1C	ZINC000065031380	208631509	/nfs/dbraw/zinc/63/15/09/208631509.db2.gz	UXPMVKQKCZWOHT-UHFFFAOYSA-N	-1	1	368.867	4.474	50	0		FIAAMM
CC1=Nc2c(c(=O)[n-]n2C2CCOCC2)[C@H](c2cccc(Cl)c2)S1	ZINC000095475870	209059040	/nfs/dbraw/zinc/05/90/40/209059040.db2.gz	VXBPRNYBSCYURF-HNNXBMFYSA-N	-1	1	363.870	4.480	50	0		FIAAMM
Cc1nc(SCC(=O)c2ccc(Cl)cc2)[n-]c(=O)c1CCC(C)C	ZINC000005176492	263339000	/nfs/dbraw/zinc/33/90/00/263339000.db2.gz	KVCAWVYRZLEJJV-UHFFFAOYSA-N	-1	1	364.898	4.295	50	0		FIAAMM
O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccc(Cl)cc1	ZINC000000626274	570439966	/nfs/dbraw/zinc/43/99/66/570439966.db2.gz	XLPKXDGYWXDEIS-UHFFFAOYSA-N	-1	1	358.850	4.127	50	0		FIAAMM
O=c1cc(O[C@@H]2CCCCC2=O)cc2oc(-c3ccccc3)cc([O-])c1-2	ZINC000000633873	570441502	/nfs/dbraw/zinc/44/15/02/570441502.db2.gz	FOFVEQNMJXLXBU-GOSISDBHSA-N	-1	1	350.370	4.056	50	0	biogenic	FIAAMM
O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3CCCCC3=O)cc([O-])c12	ZINC000000633873	570441503	/nfs/dbraw/zinc/44/15/03/570441503.db2.gz	FOFVEQNMJXLXBU-GOSISDBHSA-N	-1	1	350.370	4.056	50	0	biogenic	FIAAMM
CC(C)CC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1	ZINC000001000674	570470535	/nfs/dbraw/zinc/47/05/35/570470535.db2.gz	XULHASMDCHYPOK-UHFFFAOYSA-N	-1	1	369.446	4.060	50	0		FIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1	ZINC000001225891	570495387	/nfs/dbraw/zinc/49/53/87/570495387.db2.gz	NBYKWJQSRBJEKQ-UHFFFAOYSA-N	-1	1	366.442	4.113	50	0		FIAAMM
Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2nc1C	ZINC000001427361	570499569	/nfs/dbraw/zinc/49/95/69/570499569.db2.gz	KQJROGJPCOYESB-UHFFFAOYSA-N	-1	1	369.490	4.345	50	0		FIAAMM
CSc1nnc2c(n1)O[C@H](c1cccc([O-])c1Cl)Nc1ccccc1-2	ZINC000003653265	570567060	/nfs/dbraw/zinc/56/70/60/570567060.db2.gz	SHCCLTISFYHITE-OAHLLOKOSA-N	-1	1	372.837	4.123	50	0		FIAAMM
Nc1nc(SCc2c(F)cccc2Cl)[n-]c(=O)c1-c1ccccc1	ZINC000013108892	570773701	/nfs/dbraw/zinc/77/37/01/570773701.db2.gz	IDIZWCVOJZMLTM-UHFFFAOYSA-N	-1	1	361.829	4.104	50	0		FIAAMM
Cc1nc(SCCOc2ccccc2F)[n-]c(=O)c1Cc1ccccc1	ZINC000018117562	570810522	/nfs/dbraw/zinc/81/05/22/570810522.db2.gz	NFIJWBGFBQBTJS-UHFFFAOYSA-N	-1	1	370.449	4.392	50	0		FIAAMM
Cc1ccc(S[C@H](C)C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1	ZINC000021496975	570930859	/nfs/dbraw/zinc/93/08/59/570930859.db2.gz	VBXWQDFZTGJUIT-CYBMUJFWSA-N	-1	1	370.426	4.031	50	0		FIAAMM
COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCC2)ccc1O	ZINC000071279317	571121177	/nfs/dbraw/zinc/12/11/77/571121177.db2.gz	IDLCHYKPXVFPNH-MRXNPFEDSA-N	-1	1	359.451	4.304	50	0		FIAAMM
C[C@@H](C(=O)Nc1ccc(F)c(F)c1)n1c(-c2cccs2)n[n-]c1=S	ZINC000058425044	571132999	/nfs/dbraw/zinc/13/29/99/571132999.db2.gz	HDIWEFIMJLMFLC-QMMMGPOBSA-N	-1	1	366.418	4.147	50	0		FIAAMM
Cc1sc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1-c1ccno1	ZINC000064844919	571244553	/nfs/dbraw/zinc/24/45/53/571244553.db2.gz	UNUGEPLYODLRAD-UHFFFAOYSA-N	-1	1	370.402	4.099	50	0		FIAAMM
CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C)no2)cc1C	ZINC000064979629	571248228	/nfs/dbraw/zinc/24/82/28/571248228.db2.gz	IJKIMOQAXYPBMD-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000020978722	571332012	/nfs/dbraw/zinc/33/20/12/571332012.db2.gz	YWLPXBZYPYQTSG-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
CSc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)cc2)c1	ZINC000021032075	571332252	/nfs/dbraw/zinc/33/22/52/571332252.db2.gz	VKRFPNAVEUAXMZ-UHFFFAOYSA-N	-1	1	360.460	4.173	50	0		FIAAMM
CCOc1cccc2cc(-c3nc(-c4ccc(C)cc4)no3)/c(=N/[O-])oc21	ZINC000057354732	571342606	/nfs/dbraw/zinc/34/26/06/571342606.db2.gz	SNEXUDTYLXBVAC-XDOYNYLZSA-N	-1	1	363.373	4.147	50	0		FIAAMM
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc(Cl)c2Cl)N1	ZINC000000754299	209375694	/nfs/dbraw/zinc/37/56/94/209375694.db2.gz	UTVGARSJGBIOIP-HOCLYGCPSA-N	-1	1	361.228	4.163	50	0		FIAAMM
C[C@H](OC(=O)c1cccs1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1	ZINC000009415658	206844993	/nfs/dbraw/zinc/84/49/93/206844993.db2.gz	SSAWXOUBMNBACT-VIFPVBQESA-N	-1	1	372.427	4.224	50	0		FIAAMM
CC(=O)Nc1c(C)cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1C	ZINC000004843194	207054125	/nfs/dbraw/zinc/05/41/25/207054125.db2.gz	GEMCLMZBWKANMF-UHFFFAOYSA-N	-1	1	366.870	4.024	50	0		FIAAMM
CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1Cl	ZINC000005823057	207117679	/nfs/dbraw/zinc/11/76/79/207117679.db2.gz	SKSPRTZLPYSUCS-CYBMUJFWSA-N	-1	1	372.277	4.488	50	0		FIAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1	ZINC000006929665	207179171	/nfs/dbraw/zinc/17/91/71/207179171.db2.gz	QSLIQHMBTGECEW-UHFFFAOYSA-N	-1	1	370.474	4.246	50	0		FIAAMM
CCOc1ccc2[nH]c(SCc3cc(=O)oc4cc([O-])ccc34)nc2c1	ZINC000006972207	207181314	/nfs/dbraw/zinc/18/13/14/207181314.db2.gz	PNTASDDQRKVODS-UHFFFAOYSA-N	-1	1	368.414	4.066	50	0		FIAAMM
Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000008207291	207223338	/nfs/dbraw/zinc/22/33/38/207223338.db2.gz	ATYJMLZTYNCVNK-UHFFFAOYSA-N	-1	1	366.442	4.048	50	0		FIAAMM
Cc1c(CNCc2ccco2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl	ZINC000009747200	207285057	/nfs/dbraw/zinc/28/50/57/207285057.db2.gz	SFQMPBIYUZZVAU-UHFFFAOYSA-N	-1	1	372.852	4.388	50	0		FIAAMM
CSc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1	ZINC000009954620	207290271	/nfs/dbraw/zinc/29/02/71/207290271.db2.gz	BPZVQCXJYOQGMH-UHFFFAOYSA-N	-1	1	362.505	4.030	50	0		FIAAMM
CC(C)Cc1nnc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)s1	ZINC000011916430	207329399	/nfs/dbraw/zinc/32/93/99/207329399.db2.gz	UPMLEMJWVOJAIW-UHFFFAOYSA-N	-1	1	362.842	4.297	50	0		FIAAMM
Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)c3cc(C)ccc3[O-])cc12	ZINC000012588899	207399353	/nfs/dbraw/zinc/39/93/53/207399353.db2.gz	BCZCMBHJAIJIAW-UHFFFAOYSA-N	-1	1	361.376	4.113	50	0		FIAAMM
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1	ZINC000032926284	208058404	/nfs/dbraw/zinc/05/84/04/208058404.db2.gz	HLMILTWCLSFQRV-OAHLLOKOSA-N	-1	1	355.463	4.187	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C4CCC4)n3)cc2)cc1	ZINC000033276436	208081618	/nfs/dbraw/zinc/08/16/18/208081618.db2.gz	LNYMHPYOLGPAPI-UHFFFAOYSA-N	-1	1	369.446	4.113	50	0		FIAAMM
CSc1nc2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2s1	ZINC000033298816	208083888	/nfs/dbraw/zinc/08/38/88/208083888.db2.gz	GPIFWGJBRLYMGA-UHFFFAOYSA-N	-1	1	350.490	4.127	50	0		FIAAMM
Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2ccccc2Cl)s1	ZINC000065183550	208640298	/nfs/dbraw/zinc/64/02/98/208640298.db2.gz	AFMZIOHZQVCNBG-UHFFFAOYSA-N	-1	1	369.899	4.282	50	0		FIAAMM
CCCCn1ccnc1C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1	ZINC000092028305	209013571	/nfs/dbraw/zinc/01/35/71/209013571.db2.gz	CBIAVQBOWOSOEA-UHFFFAOYSA-N	-1	1	361.873	4.062	50	0		FIAAMM
O=S(=O)([N-]c1cccc(O)c1F)c1cc(C(F)(F)F)ccc1Cl	ZINC000095445380	209051206	/nfs/dbraw/zinc/05/12/06/209051206.db2.gz	YRBFSWCESILWBI-UHFFFAOYSA-N	-1	1	369.723	4.004	50	0		FIAAMM
O=C1[N-]C(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1ccncc1	ZINC000033808675	568549480	/nfs/dbraw/zinc/54/94/80/568549480.db2.gz	BRSFICHPYPIZNC-XNTDXEJSSA-N	-1	1	364.455	4.263	50	0		FIAAMM
Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)c2ccccc2)cc1	ZINC000000682983	570450047	/nfs/dbraw/zinc/45/00/47/570450047.db2.gz	MFLFYSCBBNSMLU-UHFFFAOYSA-N	-1	1	351.427	4.027	50	0		FIAAMM
Cc1cc(C)c2c(N)c(-c3n[n-]c(=S)n3Cc3ccccc3)sc2n1	ZINC000001035341	570473331	/nfs/dbraw/zinc/47/33/31/570473331.db2.gz	NLMCEVUKPULLHH-UHFFFAOYSA-N	-1	1	367.503	4.465	50	0		FIAAMM
Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)nc2c1	ZINC000001122320	570482116	/nfs/dbraw/zinc/48/21/16/570482116.db2.gz	JDKFIRKZGFSXGM-UHFFFAOYSA-N	-1	1	363.442	4.111	50	0		FIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1C	ZINC000001128843	570482502	/nfs/dbraw/zinc/48/25/02/570482502.db2.gz	HOEWMDRFHAKFHU-UHFFFAOYSA-N	-1	1	353.443	4.471	50	0		FIAAMM
O=S(=O)([N-]c1cccc(-c2cnc3ccccc3n2)c1)c1ccccc1	ZINC000001443156	570499872	/nfs/dbraw/zinc/49/98/72/570499872.db2.gz	DMALCBVXJMAJFH-UHFFFAOYSA-N	-1	1	361.426	4.098	50	0		FIAAMM
Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c(C)c1	ZINC000002184756	570516527	/nfs/dbraw/zinc/51/65/27/570516527.db2.gz	DKGNOACUXQGVLV-UHFFFAOYSA-N	-1	1	366.442	4.132	50	0		FIAAMM
CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2cc(NC(C)=O)ccc2C)cc1	ZINC000024070344	570549352	/nfs/dbraw/zinc/54/93/52/570549352.db2.gz	IXFHJXIUTIRKDH-CYBMUJFWSA-N	-1	1	360.479	4.268	50	0		FIAAMM
COc1ccc(-c2ncncc2Oc2ccccc2Br)c([O-])c1	ZINC000005573888	570676615	/nfs/dbraw/zinc/67/66/15/570676615.db2.gz	DZLOURHGXSDOCT-UHFFFAOYSA-N	-1	1	373.206	4.413	50	0		FIAAMM
CSc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccccn3)cc2)cc1	ZINC000015109065	570834150	/nfs/dbraw/zinc/83/41/50/570834150.db2.gz	MPUWGNJFLUZASU-UHFFFAOYSA-N	-1	1	370.499	4.195	50	0		FIAAMM
Cc1cc(C)cc(OCCOc2ccccc2C=C2SC(=O)[N-]C2=O)c1	ZINC000015800287	570843977	/nfs/dbraw/zinc/84/39/77/570843977.db2.gz	MNCLCAJZUOUUHQ-PDGQHHTCSA-N	-1	1	369.442	4.085	50	0		FIAAMM
CCCc1cc(=O)[n-]c(SCC(=O)c2cc(Cl)ccc2Cl)n1	ZINC000015379132	570862471	/nfs/dbraw/zinc/86/24/71/570862471.db2.gz	ISMJTTWNTFYEHR-UHFFFAOYSA-N	-1	1	357.262	4.004	50	0		FIAAMM
CCOc1ccc(-c2cc(C(=O)[N-]c3nnc(CC(C)C)s3)no2)cc1	ZINC000027580035	571014037	/nfs/dbraw/zinc/01/40/37/571014037.db2.gz	BYJOGZJPMUPRPW-UHFFFAOYSA-N	-1	1	372.450	4.043	50	0		FIAAMM
Cc1cccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[n-]c2=S)c1C	ZINC000069326880	571095574	/nfs/dbraw/zinc/09/55/74/571095574.db2.gz	BYWPPENERWBUIE-GFCCVEGCSA-N	-1	1	358.492	4.486	50	0		FIAAMM
Cc1nnsc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccccc1	ZINC000009250884	571102493	/nfs/dbraw/zinc/10/24/93/571102493.db2.gz	QTZWIRBJAYGJRB-UHFFFAOYSA-N	-1	1	363.398	4.076	50	0		FIAAMM
Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c(C)s2)n[nH]1	ZINC000075467610	571188223	/nfs/dbraw/zinc/18/82/23/571188223.db2.gz	RCDNOSLOUPDFDW-UHFFFAOYSA-N	-1	1	361.492	4.173	50	0		FIAAMM
C[C@@H](c1ccc(-c2cncc3sc(C(=O)[O-])cc32)cc1)N1CCOCC1	ZINC000534574444	571204449	/nfs/dbraw/zinc/20/44/49/571204449.db2.gz	AMXZCILIVDHRMA-ZDUSSCGKSA-N	-1	1	368.458	4.055	50	0		FIAAMM
CCc1cccc([N-]S(=O)(=O)c2ccc(-c3c(C)noc3C)cc2)c1	ZINC000064837767	571244302	/nfs/dbraw/zinc/24/43/02/571244302.db2.gz	AAWXPBUZCANMPL-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2C)cc1	ZINC000007050579	571258412	/nfs/dbraw/zinc/25/84/12/571258412.db2.gz	VACAXQBZHFIDRM-ZDUSSCGKSA-N	-1	1	361.463	4.096	50	0		FIAAMM
COC(=O)c1[n-]c2c(C)cc(C)cc2c(=O)c1C(=O)c1ccc(Cl)cc1	ZINC000096582031	571336271	/nfs/dbraw/zinc/33/62/71/571336271.db2.gz	QRTBTPGAOWAIQK-UHFFFAOYSA-N	-1	1	369.804	4.228	50	0		FIAAMM
COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C	ZINC000031722626	571353489	/nfs/dbraw/zinc/35/34/89/571353489.db2.gz	NPRMPNUMZFVGHR-UHFFFAOYSA-N	-1	1	359.369	4.132	50	0		FIAAMM
CSc1nnc([N-]C(=O)c2c(C)onc2-c2ccccc2Cl)s1	ZINC000004079473	571354865	/nfs/dbraw/zinc/35/48/65/571354865.db2.gz	XDUJKENDGKTKJC-UHFFFAOYSA-N	-1	1	366.855	4.129	50	0		FIAAMM
O=C([N-]c1nnc(-c2ccc(F)cc2)o1)c1cc(Cl)sc1Cl	ZINC000004275969	571357494	/nfs/dbraw/zinc/35/74/94/571357494.db2.gz	CBPHONAGSPFBCY-UHFFFAOYSA-N	-1	1	358.181	4.496	50	0		FIAAMM
O=S(=O)([N-]c1ccc2sncc2c1)c1cccc(C(F)(F)F)c1	ZINC000097165700	209174428	/nfs/dbraw/zinc/17/44/28/209174428.db2.gz	HAGMFYRCDNQTNY-UHFFFAOYSA-N	-1	1	358.366	4.116	50	0		FIAAMM
Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3C)c(C)s2)on1	ZINC000096323495	209152170	/nfs/dbraw/zinc/15/21/70/209152170.db2.gz	NLAFRPAEOADENC-UHFFFAOYSA-N	-1	1	366.439	4.268	50	0		FIAAMM
COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)oc(C)c3C(C)=O)cc1	ZINC000004735786	207043366	/nfs/dbraw/zinc/04/33/66/207043366.db2.gz	BQLNNDVHRJKGPP-UHFFFAOYSA-N	-1	1	373.430	4.062	50	0		FIAAMM
COc1ccc(-c2ncncc2-c2ccc(Br)cc2)c([O-])c1	ZINC000006754741	207160767	/nfs/dbraw/zinc/16/07/67/207160767.db2.gz	YDMFGEPKYIJEGQ-UHFFFAOYSA-N	-1	1	357.207	4.287	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1C	ZINC000006929812	207178097	/nfs/dbraw/zinc/17/80/97/207178097.db2.gz	PZOSENRHLAKDNN-UHFFFAOYSA-N	-1	1	354.475	4.464	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)c1	ZINC000006929769	207178770	/nfs/dbraw/zinc/17/87/70/207178770.db2.gz	ZHQWHFFISWZAID-UHFFFAOYSA-N	-1	1	354.475	4.464	50	0		FIAAMM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3	ZINC000006929494	207178858	/nfs/dbraw/zinc/17/88/58/207178858.db2.gz	HQWSYOWCWSHTME-UHFFFAOYSA-N	-1	1	354.475	4.464	50	0		FIAAMM
Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)c2)cs1	ZINC000007109259	207186669	/nfs/dbraw/zinc/18/66/69/207186669.db2.gz	CWZOMXFNGMEIIB-UHFFFAOYSA-N	-1	1	370.499	4.408	50	0		FIAAMM
O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1ccc2c(c1)CCC2	ZINC000009364515	207268940	/nfs/dbraw/zinc/26/89/40/207268940.db2.gz	KYLJVYFEGUCHLE-UHFFFAOYSA-N	-1	1	370.503	4.187	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(F)c(F)c2)cc1	ZINC000010491950	207301541	/nfs/dbraw/zinc/30/15/41/207301541.db2.gz	LQGXOUHZFPOJLS-UHFFFAOYSA-N	-1	1	374.416	4.223	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(F)cc(F)c2)c1	ZINC000010665208	207305117	/nfs/dbraw/zinc/30/51/17/207305117.db2.gz	MXYDQRAKNJWOTA-UHFFFAOYSA-N	-1	1	374.416	4.223	50	0		FIAAMM
CCCCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1	ZINC000012548648	207391592	/nfs/dbraw/zinc/39/15/92/207391592.db2.gz	GMONFOCJHOYISM-UHFFFAOYSA-N	-1	1	374.506	4.058	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(C)c2)cc1	ZINC000012903795	207434703	/nfs/dbraw/zinc/43/47/03/207434703.db2.gz	DVSYQZJVIQSFCF-UHFFFAOYSA-N	-1	1	352.463	4.253	50	0		FIAAMM
Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)on1	ZINC000020580204	207747002	/nfs/dbraw/zinc/74/70/02/207747002.db2.gz	SVYKOCKKORVEPD-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
O=C(/C=C/c1ccccc1)Nc1ccc(-c2nc3cnccc3o2)c([O-])c1	ZINC000032103202	208026426	/nfs/dbraw/zinc/02/64/26/208026426.db2.gz	GOEZUAFIJFZGQR-RMKNXTFCSA-N	-1	1	357.369	4.247	50	0		FIAAMM
O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(Br)c(F)c1	ZINC000095067923	209018501	/nfs/dbraw/zinc/01/85/01/209018501.db2.gz	RVOMDODBXOPWIU-UHFFFAOYSA-N	-1	1	364.623	4.042	50	0		FIAAMM
O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2ccccc2c1	ZINC000000639234	570442305	/nfs/dbraw/zinc/44/23/05/570442305.db2.gz	ASRXFUYKDSWWOY-UHFFFAOYSA-N	-1	1	362.248	4.403	50	0		FIAAMM
CC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc21	ZINC000000816412	570458243	/nfs/dbraw/zinc/45/82/43/570458243.db2.gz	LAMYSANYICSXHN-UHFFFAOYSA-N	-1	1	361.394	4.192	50	0		FIAAMM
CSc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1	ZINC000001431455	570499515	/nfs/dbraw/zinc/49/95/15/570499515.db2.gz	OKUSAIOSLJIFAE-UHFFFAOYSA-N	-1	1	370.499	4.195	50	0		FIAAMM
CCCCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000002901739	570543662	/nfs/dbraw/zinc/54/36/62/570543662.db2.gz	ZEGCRCTVJYHUSH-UHFFFAOYSA-N	-1	1	362.451	4.226	50	0		FIAAMM
CCOc1cc(/C=C2\C(=O)Oc3ccccc32)cc(Br)c1[O-]	ZINC000061190272	570571562	/nfs/dbraw/zinc/57/15/62/570571562.db2.gz	ZMXXRJFDKKPDLR-GHXNOFRVSA-N	-1	1	361.191	4.013	50	0		FIAAMM
CCOCCCn1c(-c2ccc(OC(F)F)c(OCC)c2)n[n-]c1=S	ZINC000002793129	570673880	/nfs/dbraw/zinc/67/38/80/570673880.db2.gz	CQZOCIXALMRJOH-UHFFFAOYSA-N	-1	1	373.425	4.034	50	0		FIAAMM
Cc1nc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2s1	ZINC000013098659	570773766	/nfs/dbraw/zinc/77/37/66/570773766.db2.gz	NFVXODUGLSGRKF-UHFFFAOYSA-N	-1	1	372.393	4.424	50	0		FIAAMM
C[C@@H]1CCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1	ZINC000024165004	570972408	/nfs/dbraw/zinc/97/24/08/570972408.db2.gz	QCHGTYSAWGXSCM-GFCCVEGCSA-N	-1	1	357.454	4.435	50	0		FIAAMM
CC(C)n1ccc(-c2nnc([N-]C(=O)c3cc(Cl)sc3Cl)o2)n1	ZINC000038499279	571044087	/nfs/dbraw/zinc/04/40/87/571044087.db2.gz	CHNMVUNQFXBDPV-UHFFFAOYSA-N	-1	1	372.237	4.135	50	0		FIAAMM
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000012780173	571097987	/nfs/dbraw/zinc/09/79/87/571097987.db2.gz	RAYBBDCONAOBQI-SFHVURJKSA-N	-1	1	374.440	4.036	50	0		FIAAMM
O=C(Nn1cn[n-]c1=S)c1ccc(-c2cccc3ccccc32)s1	ZINC000009515439	571111882	/nfs/dbraw/zinc/11/18/82/571111882.db2.gz	IDFDFNUZXATJDE-UHFFFAOYSA-N	-1	1	352.444	4.206	50	0		FIAAMM
COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCC2)ccc1O	ZINC000071279316	571120751	/nfs/dbraw/zinc/12/07/51/571120751.db2.gz	IDLCHYKPXVFPNH-INIZCTEOSA-N	-1	1	359.451	4.304	50	0		FIAAMM
CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccccc1)cc2Cl	ZINC000000944067	571135204	/nfs/dbraw/zinc/13/52/04/571135204.db2.gz	XXIXMPCZMSICBV-UHFFFAOYSA-N	-1	1	363.822	4.398	50	0		FIAAMM
Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(-c2ccco2)o1	ZINC000023156660	571219054	/nfs/dbraw/zinc/21/90/54/571219054.db2.gz	XGDNESZNMXMCHH-UHFFFAOYSA-N	-1	1	370.752	4.199	50	0		FIAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3c(C)noc3C)cc2)cc1	ZINC000064837679	571244171	/nfs/dbraw/zinc/24/41/71/571244171.db2.gz	OMNAIKKUBLKTSA-UHFFFAOYSA-N	-1	1	372.446	4.158	50	0		FIAAMM
CCOC(=O)c1sc2ncc(C(=O)c3cc(C)ccc3[O-])cc2c1C	ZINC000002635424	571339684	/nfs/dbraw/zinc/33/96/84/571339684.db2.gz	MCGMWSDVUGDVNL-UHFFFAOYSA-N	-1	1	355.415	4.026	50	0		FIAAMM
COc1ccc(-c2nnc([N-]C(=O)c3cc(Cl)sc3Cl)o2)cc1	ZINC000004276085	571357575	/nfs/dbraw/zinc/35/75/75/571357575.db2.gz	WBQQNSWDVSGHQD-UHFFFAOYSA-N	-1	1	370.217	4.366	50	0		FIAAMM
O=S(=O)([N-]c1ccc2c(c1)ncn2C1CCCCC1)c1ccc(F)cc1	ZINC000001068752	219363179	/nfs/dbraw/zinc/36/31/79/219363179.db2.gz	KBAQMAJRMBMWEM-UHFFFAOYSA-N	-1	1	373.453	4.481	50	0		FIAAMM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)ccc1Br	ZINC000005121066	209503670	/nfs/dbraw/zinc/50/36/70/209503670.db2.gz	VKAMWWKXGSEEOW-UHFFFAOYSA-N	-1	1	358.232	4.006	50	0		FIAAMM
CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)cc1	ZINC000000629541	209372540	/nfs/dbraw/zinc/37/25/40/209372540.db2.gz	FLIIQBSIEGBQEX-UHFFFAOYSA-N	-1	1	358.488	4.482	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(F)cc2)cc1	ZINC000009515922	219881841	/nfs/dbraw/zinc/88/18/41/219881841.db2.gz	AIFFUIIWSUSBOK-UHFFFAOYSA-N	-1	1	356.426	4.084	50	0		FIAAMM
O=C(c1ccc([O-])cc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21	ZINC000106937303	209273838	/nfs/dbraw/zinc/27/38/38/209273838.db2.gz	OSCKQCVENLJRRE-REWPJTCUSA-N	-1	1	370.408	4.145	50	0		FIAAMM
Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cn4ccccc4n3)c2)c1	ZINC000004493708	207022734	/nfs/dbraw/zinc/02/27/34/207022734.db2.gz	UXVSFFGQEBXFBP-UHFFFAOYSA-N	-1	1	363.442	4.111	50	0		FIAAMM
CCCCCCc1cc2cc(C(=O)Nc3nccs3)c(=O)oc2cc1[O-]	ZINC000004546163	207026677	/nfs/dbraw/zinc/02/66/77/207026677.db2.gz	VUFKBOMADQVZKH-UHFFFAOYSA-N	-1	1	372.446	4.330	50	0		FIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1C	ZINC000004809458	207050347	/nfs/dbraw/zinc/05/03/47/207050347.db2.gz	SRAVOZLOHGQUQU-UHFFFAOYSA-N	-1	1	359.369	4.213	50	0		FIAAMM
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1	ZINC000005065503	207077205	/nfs/dbraw/zinc/07/72/05/207077205.db2.gz	QWYWFNHRDLMRNW-UHFFFAOYSA-N	-1	1	366.442	4.048	50	0		FIAAMM
CCOCCSc1nc2c(c(=O)[n-]1)[C@@H](C1CCCC1)Cc1ccccc1-2	ZINC000005690554	207112155	/nfs/dbraw/zinc/11/21/55/207112155.db2.gz	NBHYGBWSQKKJJN-QGZVFWFLSA-N	-1	1	370.518	4.395	50	0		FIAAMM
O=c1[n-]c(-c2ccc(Br)cc2)nc2c1Cc1ccccc1O2	ZINC000006748403	207159907	/nfs/dbraw/zinc/15/99/07/207159907.db2.gz	PLSFKNKCFUSTEM-UHFFFAOYSA-N	-1	1	355.191	4.308	50	0		FIAAMM
CC(C)c1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000006919561	207177941	/nfs/dbraw/zinc/17/79/41/207177941.db2.gz	SLTZHSVKHZETEO-UHFFFAOYSA-N	-1	1	354.269	4.373	50	0		FIAAMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1	ZINC000006929754	207178168	/nfs/dbraw/zinc/17/81/68/207178168.db2.gz	HWZOLVCMULBGOI-UHFFFAOYSA-N	-1	1	354.475	4.464	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(F)c(F)c2)c1	ZINC000010491956	207302308	/nfs/dbraw/zinc/30/23/08/207302308.db2.gz	SVHXOIHOCXCJPL-UHFFFAOYSA-N	-1	1	374.416	4.223	50	0		FIAAMM
CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C	ZINC000012536107	207387135	/nfs/dbraw/zinc/38/71/35/207387135.db2.gz	YVWFYHWGODJMAQ-INIZCTEOSA-N	-1	1	374.506	4.023	50	0		FIAAMM
CCCc1cc(=O)[n-]c(SCc2nc(-c3cccc(C)c3)oc2C)n1	ZINC000045924880	208342446	/nfs/dbraw/zinc/34/24/46/208342446.db2.gz	HQWAEIQNVKKIKO-UHFFFAOYSA-N	-1	1	355.463	4.287	50	0		FIAAMM
CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000095385843	209045067	/nfs/dbraw/zinc/04/50/67/209045067.db2.gz	UGZRGGXLBSRRSX-SFHVURJKSA-N	-1	1	363.461	4.343	50	0		FIAAMM
O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccc(Cl)cc1	ZINC000001033916	132379660	/nfs/dbraw/zinc/37/96/60/132379660.db2.gz	LUDCVPKNHOUBGJ-UHFFFAOYSA-N	-1	1	350.871	4.131	50	0		FIAAMM
O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(F)c(Cl)c1	ZINC000000953444	570466304	/nfs/dbraw/zinc/46/63/04/570466304.db2.gz	BEWLXKGQLSTXIE-UHFFFAOYSA-N	-1	1	364.623	4.042	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1	ZINC000001037324	570473733	/nfs/dbraw/zinc/47/37/33/570473733.db2.gz	NGKRJEMHOZOPED-UHFFFAOYSA-N	-1	1	369.490	4.483	50	0		FIAAMM
COc1cccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)c1	ZINC000001207522	570492370	/nfs/dbraw/zinc/49/23/70/570492370.db2.gz	BEGUDHOQPFZNGL-UHFFFAOYSA-N	-1	1	360.369	4.461	50	0		FIAAMM
CSc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)c1	ZINC000012793457	570762281	/nfs/dbraw/zinc/76/22/81/570762281.db2.gz	URAGTKKFZFPMSS-UHFFFAOYSA-N	-1	1	370.503	4.277	50	0		FIAAMM
CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nc(-c2cccs2)n[nH]1	ZINC000021615657	570931944	/nfs/dbraw/zinc/93/19/44/570931944.db2.gz	WFFRUJFVEQAKEA-ZDUSSCGKSA-N	-1	1	372.519	4.063	50	0		FIAAMM
Cc1c(C(=O)N[C@H](C)CCC(C)C)sc2[n-]c(-c3ccco3)nc(=O)c12	ZINC000024864965	570984759	/nfs/dbraw/zinc/98/47/59/570984759.db2.gz	NHIDWUQOVUDRAW-LLVKDONJSA-N	-1	1	373.478	4.108	50	0		FIAAMM
O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ncc(-c2ccc(Cl)cc2)o1	ZINC000294193408	571048982	/nfs/dbraw/zinc/04/89/82/571048982.db2.gz	GDYRZOUIQOTQNW-KBMXLJTQSA-N	-1	1	360.841	4.213	50	0		FIAAMM
CCc1ccc2[n-]cc(C(=O)c3cccc(Br)c3)c(=O)c2c1	ZINC000067340953	571050548	/nfs/dbraw/zinc/05/05/48/571050548.db2.gz	VLZKJZJWDVBVLU-UHFFFAOYSA-N	-1	1	356.219	4.084	50	0		FIAAMM
Cc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[n-]c2=S)cc1F	ZINC000058430657	571132943	/nfs/dbraw/zinc/13/29/43/571132943.db2.gz	QHSPNPHSOCSVKX-SNVBAGLBSA-N	-1	1	362.455	4.316	50	0		FIAAMM
Cc1ccc(OCc2nc(C(=O)[N-]c3nnc(C(C)C)s3)cs2)cc1	ZINC000012877582	571136862	/nfs/dbraw/zinc/13/68/62/571136862.db2.gz	DHUDACZJMOIBCY-UHFFFAOYSA-N	-1	1	374.491	4.258	50	0		FIAAMM
O=C1C[C@H](c2ccc([O-])c(Cl)c2)c2cnn(Cc3cccs3)c2N1	ZINC000072405076	571145437	/nfs/dbraw/zinc/14/54/37/571145437.db2.gz	ZLPFEVXOYWULNH-GFCCVEGCSA-N	-1	1	359.838	4.476	50	0		FIAAMM
COc1ccc(C)cc1NC(=O)[C@@H](C)n1c(=S)[n-]nc1-c1cccs1	ZINC000064334496	571195264	/nfs/dbraw/zinc/19/52/64/571195264.db2.gz	FTEQGLQTFKEGHF-LLVKDONJSA-N	-1	1	374.491	4.186	50	0		FIAAMM
Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1Cl	ZINC000084847528	571233179	/nfs/dbraw/zinc/23/31/79/571233179.db2.gz	GCTBQFKIWZNSAU-UHFFFAOYSA-N	-1	1	360.660	4.212	50	0		FIAAMM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1	ZINC000064837803	571244319	/nfs/dbraw/zinc/24/43/19/571244319.db2.gz	DMRSEEVXWDYDDX-UHFFFAOYSA-N	-1	1	360.410	4.207	50	0		FIAAMM
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(OC)c1	ZINC000006887813	571253278	/nfs/dbraw/zinc/25/32/78/571253278.db2.gz	HLUVNMYCYKFXJN-UHFFFAOYSA-N	-1	1	372.446	4.022	50	0		FIAAMM
Cc1nc(SCc2nc(-c3ccc(C(C)(C)C)cc3)no2)[n-]c(=O)c1C	ZINC000065331009	571261860	/nfs/dbraw/zinc/26/18/60/571261860.db2.gz	KBLDQOBXCQCCNO-UHFFFAOYSA-N	-1	1	370.478	4.027	50	0		FIAAMM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1	ZINC000014232424	571271805	/nfs/dbraw/zinc/27/18/05/571271805.db2.gz	PZPODBDHJXEIBF-UHFFFAOYSA-N	-1	1	369.490	4.030	50	0		FIAAMM
O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cccc(Cl)c1Cl	ZINC000002631194	571339625	/nfs/dbraw/zinc/33/96/25/571339625.db2.gz	VLDCMHCSOXOZMF-UHFFFAOYSA-N	-1	1	356.152	4.212	50	0		FIAAMM
Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(F)c3)c2)cs1	ZINC000013357913	571323241	/nfs/dbraw/zinc/32/32/41/571323241.db2.gz	MXZFDJWRXJHMSP-UHFFFAOYSA-N	-1	1	362.451	4.367	50	0		FIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1	ZINC000021033640	571332264	/nfs/dbraw/zinc/33/22/64/571332264.db2.gz	GVGKTDRDKPBWGM-UHFFFAOYSA-N	-1	1	354.431	4.328	50	0		FIAAMM
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2)co1	ZINC000021111059	571332821	/nfs/dbraw/zinc/33/28/21/571332821.db2.gz	PIXDPIVTFUXWIT-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
CCOc1ccc2nc(SCC(=O)c3ccc([O-])cc3O)sc2c1	ZINC000003327618	571347453	/nfs/dbraw/zinc/34/74/53/571347453.db2.gz	PYLIOOOGLRRQDX-UHFFFAOYSA-N	-1	1	361.444	4.081	50	0		FIAAMM
O=C([O-])c1ccccc1[C@@]1(c2ccccc2)NCCc2c3ccccc3[nH]c21	ZINC000004064714	571354652	/nfs/dbraw/zinc/35/46/52/571354652.db2.gz	NXUBORGAOWMMEE-XMMPIXPASA-N	-1	1	368.436	4.304	50	0	biogenic	FIAAMM
N#CCCn1cc(C=C2SC(=S)[N-]C2=O)c(-c2cccc(Cl)c2)n1	ZINC000096662800	1083551815	/nfs/dbraw/zinc/55/18/15/1083551815.db2.gz	HZXXTZKQYDAHAC-MDWZMJQESA-N	-1	1	374.878	4.446	50	0		FIAAMM
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)S1	ZINC000263639845	210006773	/nfs/dbraw/zinc/00/67/73/210006773.db2.gz	LTRLOXIHSVIOQT-QPEQYQDCSA-N	-1	1	350.321	4.091	50	0		FIAAMM
COc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c1	ZINC000001134461	209385287	/nfs/dbraw/zinc/38/52/87/209385287.db2.gz	VMISTZONTJOIEL-UHFFFAOYSA-N	-1	1	365.760	4.168	50	0		FIAAMM
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc(Cl)c2Cl)N1	ZINC000000754296	209376379	/nfs/dbraw/zinc/37/63/79/209376379.db2.gz	UTVGARSJGBIOIP-GDBMZVCRSA-N	-1	1	361.228	4.163	50	0		FIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)c2cccnc12	ZINC000004148142	207003551	/nfs/dbraw/zinc/00/35/51/207003551.db2.gz	MJWFUFDPUGZVML-UHFFFAOYSA-N	-1	1	370.474	4.305	50	0		FIAAMM
O=C1S/C(=C\c2ccc([O-])c(Cl)c2)C(=O)N1Cc1ccc(F)cc1	ZINC000005894904	207122438	/nfs/dbraw/zinc/12/24/38/207122438.db2.gz	RVIMJJJCXFWBTF-NVNXTCNLSA-N	-1	1	363.797	4.421	50	0		FIAAMM
COc1ccc(C=C2SC(=O)[N-]C2=O)cc1CSCc1ccco1	ZINC000008161437	207221719	/nfs/dbraw/zinc/22/17/19/207221719.db2.gz	BLXBOXRFTPCGIZ-NVNXTCNLSA-N	-1	1	361.444	4.046	50	0		FIAAMM
O=S(=O)([N-]c1ccc2nc(-c3ccc(F)cc3)oc2c1)c1ccccc1	ZINC000008586624	207237788	/nfs/dbraw/zinc/23/77/88/207237788.db2.gz	ZWHUMJFRTIKZAY-UHFFFAOYSA-N	-1	1	368.389	4.435	50	0		FIAAMM
Cc1cccc([C@@H](Nc2ccc(Br)cc2)[P@](=O)([O-])O)c1	ZINC000012526544	207384031	/nfs/dbraw/zinc/38/40/31/207384031.db2.gz	URVKHGHUVVNAIZ-AWEZNQCLSA-N	-1	1	356.156	4.046	50	0		FIAAMM
CCc1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)cc1	ZINC000021032546	207762023	/nfs/dbraw/zinc/76/20/23/207762023.db2.gz	LYLBOJDQXPZIGP-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
O=C(Nc1ccc(Oc2cnccn2)cc1)c1cc2ccccc2cc1[O-]	ZINC000047187331	208374135	/nfs/dbraw/zinc/37/41/35/208374135.db2.gz	PYVUFMUWOGTTTI-UHFFFAOYSA-N	-1	1	357.369	4.380	50	0		FIAAMM
Cc1ccn2cc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)nc2c1	ZINC000000629519	570440223	/nfs/dbraw/zinc/44/02/23/570440223.db2.gz	GTNXPJLIWBOGNQ-UHFFFAOYSA-N	-1	1	363.442	4.111	50	0		FIAAMM
O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1ccc(Cl)c(Cl)c1	ZINC000001024501	570471698	/nfs/dbraw/zinc/47/16/98/570471698.db2.gz	SGSOHKYAYHMCHB-UHFFFAOYSA-N	-1	1	369.229	4.449	50	0		FIAAMM
Cc1ccccc1-n1cnc2cc([N-]S(=O)(=O)c3ccccc3)ccc21	ZINC000001127549	570482103	/nfs/dbraw/zinc/48/21/03/570482103.db2.gz	ATVFPUYFOSTMPW-UHFFFAOYSA-N	-1	1	363.442	4.135	50	0		FIAAMM
O=c1cc(-c2ccccc2)nc(SCc2nc(-c3cccs3)no2)[n-]1	ZINC000002877247	570541704	/nfs/dbraw/zinc/54/17/04/570541704.db2.gz	ISBCHYFWODTRTA-UHFFFAOYSA-N	-1	1	368.443	4.253	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccsc2)c1	ZINC000023957820	570546601	/nfs/dbraw/zinc/54/66/01/570546601.db2.gz	MVYSEZBQWDOMTB-UHFFFAOYSA-N	-1	1	372.519	4.026	50	0		FIAAMM
CC1(C)C[C@]2(C[C@H](c3ccccc3)c3cc(Cl)c([O-])cc3O2)NC(=O)N1	ZINC000004671250	570670583	/nfs/dbraw/zinc/67/05/83/570670583.db2.gz	CUNYRZOIZZZCMK-JLTOFOAXSA-N	-1	1	372.852	4.138	50	0		FIAAMM
FC(F)C(F)(F)Oc1cccc(-c2n[n-]c(=S)n2Cc2ccco2)c1	ZINC000002791820	570673905	/nfs/dbraw/zinc/67/39/05/570673905.db2.gz	YLPCOQOIIXJVTH-UHFFFAOYSA-N	-1	1	373.331	4.486	50	0		FIAAMM
Cc1ccc(C)c(-c2nnc([N-]C(=O)c3nc4ccccc4s3)o2)c1	ZINC000004479489	570796133	/nfs/dbraw/zinc/79/61/33/570796133.db2.gz	WBUFODNULBLODG-UHFFFAOYSA-N	-1	1	350.403	4.215	50	0		FIAAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2	ZINC000018068486	570806965	/nfs/dbraw/zinc/80/69/65/570806965.db2.gz	VYUOXCWFINSTQD-VIFPVBQESA-N	-1	1	355.341	4.047	50	0		FIAAMM
O=C([N-]c1nnc(CSc2ccccc2)o1)c1nc2ccccc2s1	ZINC000010689762	570920470	/nfs/dbraw/zinc/92/04/70/570920470.db2.gz	FDIMVGNTLURFOF-UHFFFAOYSA-N	-1	1	368.443	4.224	50	0		FIAAMM
CCCc1n[n-]c(=S)n1CC(=O)NC1CCC(C(C)(C)CC)CC1	ZINC000026041993	571002104	/nfs/dbraw/zinc/00/21/04/571002104.db2.gz	KLYATMFDIIXJDZ-UHFFFAOYSA-N	-1	1	352.548	4.004	50	0		FIAAMM
O=C(c1ccc([O-])cc1)C1CCN(c2ncnc3c4ccccc4oc32)CC1	ZINC000084593446	571091301	/nfs/dbraw/zinc/09/13/01/571091301.db2.gz	FNYIBWVQOKCOOL-UHFFFAOYSA-N	-1	1	373.412	4.181	50	0		FIAAMM
O=C(Nc1ccc(Cl)cc1Cl)c1cc2ccc([O-])cc2oc1=O	ZINC000000845974	571092638	/nfs/dbraw/zinc/09/26/38/571092638.db2.gz	NWMUZISNUGGWQD-UHFFFAOYSA-N	-1	1	350.157	4.058	50	0		FIAAMM
Cc1cc2cc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2[nH]1	ZINC000001502423	571123073	/nfs/dbraw/zinc/12/30/73/571123073.db2.gz	RVQHTYBDHRZNLK-UHFFFAOYSA-N	-1	1	354.353	4.296	50	0		FIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(C)c1C	ZINC000072414297	571192328	/nfs/dbraw/zinc/19/23/28/571192328.db2.gz	DXSJUMXYZRJRAE-UHFFFAOYSA-N	-1	1	356.447	4.051	50	0		FIAAMM
CCc1ccccc1NC(=O)[C@H](C)n1c(=S)[n-]nc1-c1cccs1	ZINC000064335822	571195529	/nfs/dbraw/zinc/19/55/29/571195529.db2.gz	ZEYKMAUWEKKEFW-NSHDSACASA-N	-1	1	358.492	4.431	50	0		FIAAMM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1	ZINC000064837794	571244298	/nfs/dbraw/zinc/24/42/98/571244298.db2.gz	LHOCMWXUWKFTEN-UHFFFAOYSA-N	-1	1	364.373	4.037	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(C)c2)on1	ZINC000064979617	571248283	/nfs/dbraw/zinc/24/82/83/571248283.db2.gz	KCQNDGSNTLTWEH-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
CC(C)n1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c2cccnc21	ZINC000065242212	571257565	/nfs/dbraw/zinc/25/75/65/571257565.db2.gz	YTZJJANQPBZQKZ-UHFFFAOYSA-N	-1	1	367.833	4.211	50	0		FIAAMM
Cc1cc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)c(C)s1	ZINC000055592124	571318019	/nfs/dbraw/zinc/31/80/19/571318019.db2.gz	KRXPAROZKMOOGS-UHFFFAOYSA-N	-1	1	366.508	4.069	50	0		FIAAMM
C=CCOc1ccc(Br)cc1C=C1SC(=S)[N-]C1=O	ZINC000033922147	1087607000	/nfs/dbraw/zinc/60/70/00/1087607000.db2.gz	MLVVZKGAPNTNPW-YRNVUSSQSA-N	-1	1	356.266	4.343	50	0		FIAAMM
O=S(=O)([N-]c1ccc(Br)cc1F)c1ccccc1Cl	ZINC000016129494	220178122	/nfs/dbraw/zinc/17/81/22/220178122.db2.gz	SSNIRXNDLUGADP-UHFFFAOYSA-N	-1	1	364.623	4.042	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)S3)cc1	ZINC000004660868	207035783	/nfs/dbraw/zinc/03/57/83/207035783.db2.gz	KNIMHOOABMTYTM-UHFFFAOYSA-N	-1	1	355.440	4.195	50	0		FIAAMM
O=C1[N-]C(=O)C(=Cc2cn(CCOc3ccccc3)c3ccccc23)S1	ZINC000004676017	207036990	/nfs/dbraw/zinc/03/69/90/207036990.db2.gz	JUOBMMSJIPCPHP-PDGQHHTCSA-N	-1	1	364.426	4.044	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)oc2c3C(=O)CCC2)cc1	ZINC000004735829	207043121	/nfs/dbraw/zinc/04/31/21/207043121.db2.gz	OPOKJULDGYBXHI-UHFFFAOYSA-N	-1	1	369.442	4.369	50	0		FIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)c(Cl)c1Cl	ZINC000004978071	207068093	/nfs/dbraw/zinc/06/80/93/207068093.db2.gz	ZHUVCEQQGIUJKX-UHFFFAOYSA-N	-1	1	360.262	4.420	50	0		FIAAMM
CCOC(=O)c1n[n-]c(C(=O)c2ccccc2)c1-c1ccccc1Cl	ZINC000005101598	207080765	/nfs/dbraw/zinc/08/07/65/207080765.db2.gz	ORSKUZYIRBJDBB-UHFFFAOYSA-N	-1	1	354.793	4.138	50	0		FIAAMM
O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc2cc(F)ccc2s1	ZINC000007165728	207189717	/nfs/dbraw/zinc/18/97/17/207189717.db2.gz	GKODLXMZLLLQQV-UHFFFAOYSA-N	-1	1	370.357	4.209	50	0		FIAAMM
Cc1cc(=O)oc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc12	ZINC000008195558	207223031	/nfs/dbraw/zinc/22/30/31/207223031.db2.gz	CMGLXUOAEGNPTE-UHFFFAOYSA-N	-1	1	365.410	4.055	50	0		FIAAMM
Cc1ccc(SCc2cc(=O)[n-]c(Nc3nc4ccccc4o3)n2)cc1	ZINC000008995134	207253845	/nfs/dbraw/zinc/25/38/45/207253845.db2.gz	MSWCELXHFSYHCR-UHFFFAOYSA-N	-1	1	364.430	4.255	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC2CCCCCC2)c1	ZINC000009604186	207278871	/nfs/dbraw/zinc/27/88/71/207278871.db2.gz	GUSKUFGMFFTMQK-UHFFFAOYSA-N	-1	1	358.511	4.145	50	0		FIAAMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1	ZINC000010463188	207302044	/nfs/dbraw/zinc/30/20/44/207302044.db2.gz	QUAUAGWREQMGRZ-UHFFFAOYSA-N	-1	1	365.760	4.348	50	0		FIAAMM
O=C(Nc1ccc(Cl)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000010464558	207302520	/nfs/dbraw/zinc/30/25/20/207302520.db2.gz	NTHICPNIFOKTNB-UHFFFAOYSA-N	-1	1	358.825	4.172	50	0		FIAAMM
CC(C)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1	ZINC000037385875	208180733	/nfs/dbraw/zinc/18/07/33/208180733.db2.gz	DLCASRDVUDGYSE-UHFFFAOYSA-N	-1	1	354.269	4.373	50	0		FIAAMM
CCOc1ccc(NC(=O)[C@H](C)n2c(=S)[n-]nc2-c2cccs2)cc1	ZINC000058392699	208582895	/nfs/dbraw/zinc/58/28/95/208582895.db2.gz	KTKFGNIVPRIHQW-NSHDSACASA-N	-1	1	374.491	4.268	50	0		FIAAMM
O=C(Nc1ccccn1)c1cc2ccc([O-])cc2o/c1=N\c1ccccc1	ZINC000067293182	208701953	/nfs/dbraw/zinc/70/19/53/208701953.db2.gz	FZFWFVUOKSKHOO-LNVKXUELSA-N	-1	1	357.369	4.018	50	0		FIAAMM
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(C)c1	ZINC000020978739	523854466	/nfs/dbraw/zinc/85/44/66/523854466.db2.gz	NGMBFGLJNGXJLH-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
Cc1cc(C)cc(N[C@@H](c2ccc(OC(F)F)cc2)[P@](=O)([O-])O)c1	ZINC000024769725	568095733	/nfs/dbraw/zinc/09/57/33/568095733.db2.gz	ONEQRTZDJVTDFG-OAHLLOKOSA-N	-1	1	357.293	4.193	50	0		FIAAMM
Cc1oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2c1C(=O)OC(C)C	ZINC000002954680	570545127	/nfs/dbraw/zinc/54/51/27/570545127.db2.gz	GATMTUXXRNIKNW-UHFFFAOYSA-N	-1	1	373.430	4.107	50	0		FIAAMM
O=S(=O)([N-]c1ccc(Br)c2ccccc12)c1ccccc1	ZINC000001583219	570765351	/nfs/dbraw/zinc/76/53/51/570765351.db2.gz	GQUNCQLVKWZDQG-UHFFFAOYSA-N	-1	1	362.248	4.403	50	0		FIAAMM
CSc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1	ZINC000016101263	570850662	/nfs/dbraw/zinc/85/06/62/570850662.db2.gz	ZHUPWVRWCXCTNZ-UHFFFAOYSA-N	-1	1	363.382	4.108	50	0		FIAAMM
Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)no1	ZINC000009203843	571100841	/nfs/dbraw/zinc/10/08/41/571100841.db2.gz	JAPNHINQFWHVIN-UHFFFAOYSA-N	-1	1	351.387	4.218	50	0		FIAAMM
O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NC1CCCCCC1	ZINC000009604201	571114814	/nfs/dbraw/zinc/11/48/14/571114814.db2.gz	TZNFHTKVZZLSAK-UHFFFAOYSA-N	-1	1	364.902	4.100	50	0		FIAAMM
Cc1ccsc1CN(Cc1cc(Cl)ccc1OCC(=O)[O-])C1CC1	ZINC000244795908	571117287	/nfs/dbraw/zinc/11/72/87/571117287.db2.gz	RPQBXNKZILOEBI-UHFFFAOYSA-N	-1	1	365.882	4.338	50	0		FIAAMM
CSc1cccc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1	ZINC000015941429	571146193	/nfs/dbraw/zinc/14/61/93/571146193.db2.gz	AOMRGESQCJWXMU-UHFFFAOYSA-N	-1	1	360.460	4.173	50	0		FIAAMM
O=S(=O)([N-]c1ccc2nc(C3CCC3)[nH]c2c1)c1ccccc1Cl	ZINC000075106840	571155286	/nfs/dbraw/zinc/15/52/86/571155286.db2.gz	ZAVPDJJGRFBLSS-UHFFFAOYSA-N	-1	1	361.854	4.285	50	0		FIAAMM
CCc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)[nH]n3)sc2C)cc1	ZINC000075467591	571188305	/nfs/dbraw/zinc/18/83/05/571188305.db2.gz	OEYZDPFORCWUAD-UHFFFAOYSA-N	-1	1	361.492	4.118	50	0		FIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)cc1	ZINC000006887625	571253171	/nfs/dbraw/zinc/25/31/71/571253171.db2.gz	UGOLHUCQYDXTIW-UHFFFAOYSA-N	-1	1	370.474	4.246	50	0	aggregator	FIAAMM
Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2cc(C)ccc2F)s1	ZINC000065183539	571256028	/nfs/dbraw/zinc/25/60/28/571256028.db2.gz	OZZCKUDAAZEJBH-UHFFFAOYSA-N	-1	1	367.471	4.076	50	0		FIAAMM
CCCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000027738207	571321119	/nfs/dbraw/zinc/32/11/19/571321119.db2.gz	JJHNJUTYDREDIE-UHFFFAOYSA-N	-1	1	366.870	4.270	50	0		FIAAMM
CC(C)c1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1O	ZINC000328595935	571323712	/nfs/dbraw/zinc/32/37/12/571323712.db2.gz	KZCMHIWAWMVCRA-UHFFFAOYSA-N	-1	1	359.369	4.335	50	0		FIAAMM
Cc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(F)c3)c2)c1C	ZINC000020580483	571331273	/nfs/dbraw/zinc/33/12/73/571331273.db2.gz	WOINCRPAKZPLGY-UHFFFAOYSA-N	-1	1	360.410	4.207	50	0		FIAAMM
Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c2)o1	ZINC000021032814	571332281	/nfs/dbraw/zinc/33/22/81/571332281.db2.gz	BCXOGSXAELSIIQ-UHFFFAOYSA-N	-1	1	360.410	4.207	50	0		FIAAMM
Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000021033974	571332320	/nfs/dbraw/zinc/33/23/20/571332320.db2.gz	LUVPQVVCIPKIET-UHFFFAOYSA-N	-1	1	372.421	4.467	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(C)ccc2F)cc1	ZINC000055551170	571337913	/nfs/dbraw/zinc/33/79/13/571337913.db2.gz	SWNIWHGEDWYNKI-UHFFFAOYSA-N	-1	1	356.426	4.002	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C)cc2F)cc1	ZINC000055544882	571337928	/nfs/dbraw/zinc/33/79/28/571337928.db2.gz	HUEKTCOJWKDRBM-UHFFFAOYSA-N	-1	1	356.426	4.002	50	0		FIAAMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)cc2o1	ZINC000028248162	571338875	/nfs/dbraw/zinc/33/88/75/571338875.db2.gz	IURXDMTXIOZRFH-UHFFFAOYSA-N	-1	1	366.398	4.001	50	0		FIAAMM
O=C([N-]c1nnc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2s1	ZINC000004276141	571357590	/nfs/dbraw/zinc/35/75/90/571357590.db2.gz	UXZRTYHETXEXGZ-UHFFFAOYSA-N	-1	1	356.794	4.252	50	0		FIAAMM
O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(Br)cc1	ZINC000005570031	207106319	/nfs/dbraw/zinc/10/63/19/207106319.db2.gz	XSBXSZQWPRLJJH-UHFFFAOYSA-N	-1	1	364.623	4.042	50	0		FIAAMM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1	ZINC000006929878	207178629	/nfs/dbraw/zinc/17/86/29/207178629.db2.gz	JJLTYTCSWWJXPC-UHFFFAOYSA-N	-1	1	354.475	4.464	50	0		FIAAMM
CCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C	ZINC000007360432	207194036	/nfs/dbraw/zinc/19/40/36/207194036.db2.gz	HHJYQELHSAUORK-UHFFFAOYSA-N	-1	1	360.479	4.151	50	0		FIAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)Nc1cccc(Cl)c1	ZINC000009348865	207268679	/nfs/dbraw/zinc/26/86/79/207268679.db2.gz	VFBYVYRXXFHZPW-UHFFFAOYSA-N	-1	1	357.793	4.032	50	0		FIAAMM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2cnc(C)o2)cc1	ZINC000009807677	207286302	/nfs/dbraw/zinc/28/63/02/207286302.db2.gz	UZVBIQFTYCQHBU-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
O=c1[n-]c(-c2ccccc2)nc2c1sc(=S)n2Cc1ccccc1	ZINC000011363964	207312947	/nfs/dbraw/zinc/31/29/47/207312947.db2.gz	OJTCUJWOIHVVNR-UHFFFAOYSA-N	-1	1	351.456	4.231	50	0		FIAAMM
CCc1ccccc1S(=O)(=O)[N-]c1ccc2nc(SC)sc2c1	ZINC000033298818	208083840	/nfs/dbraw/zinc/08/38/40/208083840.db2.gz	JRLCQPWMRYJFTG-UHFFFAOYSA-N	-1	1	364.517	4.381	50	0		FIAAMM
Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc(C)c(C)c(=O)[n-]1	ZINC000045924675	208342596	/nfs/dbraw/zinc/34/25/96/208342596.db2.gz	ZUOIQWNAJRGQSP-UHFFFAOYSA-N	-1	1	361.854	4.296	50	0		FIAAMM
Cc1noc(-c2csc(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1C	ZINC000044921937	208322066	/nfs/dbraw/zinc/32/20/66/208322066.db2.gz	ZQRUAWHEZRYBRM-UHFFFAOYSA-N	-1	1	368.867	4.474	50	0		FIAAMM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1	ZINC000064837784	208623508	/nfs/dbraw/zinc/62/35/08/208623508.db2.gz	SLSDHLCHMQNZRG-UHFFFAOYSA-N	-1	1	360.410	4.207	50	0		FIAAMM
Cc1ccc(F)cc1NC(=O)[C@H](C)n1c(-c2cccs2)n[n-]c1=S	ZINC000095392594	209047370	/nfs/dbraw/zinc/04/73/70/209047370.db2.gz	ANGJKWCTVTXQFO-JTQLQIEISA-N	-1	1	362.455	4.316	50	0		FIAAMM
CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCc1ccccc1F	ZINC000033527770	263396589	/nfs/dbraw/zinc/39/65/89/263396589.db2.gz	RGVPTKLYWIXCGC-LICLKQGHSA-N	-1	1	373.405	4.127	50	0		FIAAMM
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1nncs1	ZINC000001199528	570491556	/nfs/dbraw/zinc/49/15/56/570491556.db2.gz	GNENWPFKUOZLCE-UHFFFAOYSA-N	-1	1	355.206	4.061	50	0		FIAAMM
O=S(=O)([N-]Cc1cccs1)c1cc(Cl)c(Cl)cc1Cl	ZINC000002381015	570520540	/nfs/dbraw/zinc/52/05/40/570520540.db2.gz	DNXHYHWZTFWZSP-UHFFFAOYSA-N	-1	1	356.683	4.187	50	0		FIAAMM
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1	ZINC000003081981	570550989	/nfs/dbraw/zinc/55/09/89/570550989.db2.gz	DTOTVAVIUWEKAT-UHFFFAOYSA-N	-1	1	366.442	4.048	50	0		FIAAMM
CSc1nnc2c(n1)O[C@@H](c1cccc([O-])c1Cl)Nc1ccccc1-2	ZINC000003653266	570567321	/nfs/dbraw/zinc/56/73/21/570567321.db2.gz	SHCCLTISFYHITE-HNNXBMFYSA-N	-1	1	372.837	4.123	50	0		FIAAMM
CCCc1ccc(NC(=O)Cc2n[n-]c(=S)n2Cc2ccccc2)cc1	ZINC000011870379	570597758	/nfs/dbraw/zinc/59/77/58/570597758.db2.gz	MWJRGONPCIDRBX-UHFFFAOYSA-N	-1	1	366.490	4.123	50	0		FIAAMM
O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(C(F)(F)F)cc1	ZINC000016129962	570851034	/nfs/dbraw/zinc/85/10/34/570851034.db2.gz	SUVNHAWBWKFFFR-UHFFFAOYSA-N	-1	1	353.724	4.299	50	0		FIAAMM
CCOc1ccc(OCCSc2nc(-c3ccccc3)cc(=O)[n-]2)cc1	ZINC000018142884	570875607	/nfs/dbraw/zinc/87/56/07/570875607.db2.gz	SCFNELLBILVYKV-UHFFFAOYSA-N	-1	1	368.458	4.007	50	0		FIAAMM
Cc1ccc(-c2cc(C(=O)[N-]c3nnc(CC(C)C)s3)no2)cc1C	ZINC000027582500	571014729	/nfs/dbraw/zinc/01/47/29/571014729.db2.gz	FBWCMCVECDOEFQ-UHFFFAOYSA-N	-1	1	356.451	4.261	50	0		FIAAMM
Cc1cc([O-])c(C2=NCCS[C@H](c3ccc(C(C)C)cc3)C2)c(=O)o1	ZINC000005441477	571043352	/nfs/dbraw/zinc/04/33/52/571043352.db2.gz	OTNIHYCQZPHTNA-SFHVURJKSA-N	-1	1	357.475	4.445	50	0	biogenic	FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CC(C)(C)C)c2)cc1C	ZINC000012737592	571059793	/nfs/dbraw/zinc/05/97/93/571059793.db2.gz	MULZETFAYPMSNE-UHFFFAOYSA-N	-1	1	374.506	4.479	50	0		FIAAMM
Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000015942505	571146559	/nfs/dbraw/zinc/14/65/59/571146559.db2.gz	OIJPQMFNKKZFOW-UHFFFAOYSA-N	-1	1	354.431	4.328	50	0		FIAAMM
CCC(CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1	ZINC000012604667	571190308	/nfs/dbraw/zinc/19/03/08/571190308.db2.gz	NYODTAGXSFEUCO-UHFFFAOYSA-N	-1	1	374.506	4.023	50	0		FIAAMM
Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)s2)o1	ZINC000065003853	571250035	/nfs/dbraw/zinc/25/00/35/571250035.db2.gz	JHMQSUNFFVEJFC-UHFFFAOYSA-N	-1	1	368.867	4.474	50	0		FIAAMM
COc1cccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)c1	ZINC000013357828	571323263	/nfs/dbraw/zinc/32/32/63/571323263.db2.gz	DGKZOADGTSTEOQ-UHFFFAOYSA-N	-1	1	374.487	4.236	50	0		FIAAMM
Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3C)c2)on1	ZINC000020580305	571331292	/nfs/dbraw/zinc/33/12/92/571331292.db2.gz	PEYKBTWUBAETEC-UHFFFAOYSA-N	-1	1	360.410	4.207	50	0		FIAAMM
COc1cc(C(=O)NC2(c3ccc(F)cc3F)CCC2)cc(Cl)c1[O-]	ZINC000154033166	1121452137	/nfs/dbraw/zinc/45/21/37/1121452137.db2.gz	HRNKXEVXOINHHM-UHFFFAOYSA-N	-1	1	367.779	4.142	50	0		FIAAMM
CC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21	ZINC000000755096	206829014	/nfs/dbraw/zinc/82/90/14/206829014.db2.gz	DWRXTSNELCPLMI-UHFFFAOYSA-N	-1	1	363.822	4.398	50	0		FIAAMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2	ZINC000004671152	207037661	/nfs/dbraw/zinc/03/76/61/207037661.db2.gz	XWRKEVOWHJGBAT-UHFFFAOYSA-N	-1	1	372.833	4.168	50	0		FIAAMM
CCOc1ccc(-c2nc3c(c(=O)[n-]2)Cc2cccc(OCC)c2O3)cc1	ZINC000006748454	207159612	/nfs/dbraw/zinc/15/96/12/207159612.db2.gz	QIIBKXMHQFKIJT-UHFFFAOYSA-N	-1	1	364.401	4.343	50	0		FIAAMM
CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000007378990	207194145	/nfs/dbraw/zinc/19/41/45/207194145.db2.gz	DWDGJDFCQQSSMZ-UHFFFAOYSA-N	-1	1	365.882	4.468	50	0		FIAAMM
O=C1C[C@H](c2ccc3ccccc3c2)c2c(=O)[n-]c(-c3ccccc3)nc2N1	ZINC000009065605	207257462	/nfs/dbraw/zinc/25/74/62/207257462.db2.gz	JSCNZACIOUHFCP-GOSISDBHSA-N	-1	1	367.408	4.064	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(F)cc2)c1	ZINC000009317024	207266147	/nfs/dbraw/zinc/26/61/47/207266147.db2.gz	QDSLYTPVIPBYTI-UHFFFAOYSA-N	-1	1	356.426	4.084	50	0		FIAAMM
CCc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)no1	ZINC000033086444	208070014	/nfs/dbraw/zinc/07/00/14/208070014.db2.gz	HRRLYTQDNDPECZ-UHFFFAOYSA-N	-1	1	371.462	4.025	50	0		FIAAMM
O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ncc(-c2cccc(Cl)c2)o1	ZINC000299745383	208341755	/nfs/dbraw/zinc/34/17/55/208341755.db2.gz	YMDPFTKFDSNDKI-WQVCFCJDSA-N	-1	1	360.841	4.213	50	0		FIAAMM
CCCCOc1ccc(-c2cc(C(=O)[N-]c3nnc(CC)s3)no2)cc1	ZINC000046086143	208358551	/nfs/dbraw/zinc/35/85/51/208358551.db2.gz	NSMRZOCQPYGBHU-UHFFFAOYSA-N	-1	1	372.450	4.187	50	0		FIAAMM
Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cn4ccsc4n3)c2)c1	ZINC000000629294	567891556	/nfs/dbraw/zinc/89/15/56/567891556.db2.gz	LSBPKJJEEFOFNZ-UHFFFAOYSA-N	-1	1	369.471	4.172	50	0	aggregator	FIAAMM
COc1cc(NC(=O)c2cc3ccccc3cc2[O-])c(OC)cc1Cl	ZINC000000625965	570439692	/nfs/dbraw/zinc/43/96/92/570439692.db2.gz	QIHKTBRNOLQDGQ-UHFFFAOYSA-N	-1	1	357.793	4.468	50	0		FIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C(=O)CCC4)c1	ZINC000000781561	570455846	/nfs/dbraw/zinc/45/58/46/570455846.db2.gz	YFCIIHIUGKFPFG-UHFFFAOYSA-N	-1	1	369.442	4.369	50	0		FIAAMM
CCCCCc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[n-]c1=O	ZINC000002415978	570520729	/nfs/dbraw/zinc/52/07/29/570520729.db2.gz	VEJMIUVNVBZJBO-UHFFFAOYSA-N	-1	1	365.481	4.423	50	0		FIAAMM
CCCc1cc(=O)[n-]c(S[C@H](C(=O)NC2CCCC2)c2ccccc2)n1	ZINC000013945436	570798627	/nfs/dbraw/zinc/79/86/27/570798627.db2.gz	BPIZMXKFKOGNBE-SFHVURJKSA-N	-1	1	371.506	4.027	50	0		FIAAMM
Cc1nc(SCCOc2ccccc2)[n-]c(=O)c1Cc1ccccc1	ZINC000018210622	570876634	/nfs/dbraw/zinc/87/66/34/570876634.db2.gz	BLIVYKZHSIHQOE-UHFFFAOYSA-N	-1	1	352.459	4.253	50	0		FIAAMM
O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2ccc([O-])cc2oc1=O	ZINC000000845978	571092853	/nfs/dbraw/zinc/09/28/53/571092853.db2.gz	HXCVLPMWPAHOKY-UHFFFAOYSA-N	-1	1	350.157	4.058	50	0		FIAAMM
Cc1ccsc1CN(Cc1ccccn1)Cc1ccccc1C(=O)[O-]	ZINC000055414710	571121056	/nfs/dbraw/zinc/12/10/56/571121056.db2.gz	DPCBWGTXQQBSTA-UHFFFAOYSA-N	-1	1	352.459	4.352	50	0		FIAAMM
Cc1cccc(NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)c1	ZINC000012877574	571136824	/nfs/dbraw/zinc/13/68/24/571136824.db2.gz	CASPOFRDDGNIKS-UHFFFAOYSA-N	-1	1	352.463	4.253	50	0		FIAAMM
Cc1cc(C)c(C(=O)N2CCC[C@@H](c3n[n-]c(=S)n3C3CC3)C2)c(C)c1	ZINC000090599598	571179588	/nfs/dbraw/zinc/17/95/88/571179588.db2.gz	FUJDCVHBHCVOTE-OAHLLOKOSA-N	-1	1	370.522	4.221	50	0		FIAAMM
O=C(c1ccc(-c2cc([O-])c(F)c(F)c2)cc1)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1	ZINC000426746074	571236881	/nfs/dbraw/zinc/23/68/81/571236881.db2.gz	JLYDGDSJVPEEBJ-LVYXFOGZSA-N	-1	1	369.411	4.456	50	0		FIAAMM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1	ZINC000064837707	571244316	/nfs/dbraw/zinc/24/43/16/571244316.db2.gz	HNXUDUXAXAZFHH-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c(C)c2)on1	ZINC000064979659	571248245	/nfs/dbraw/zinc/24/82/45/571248245.db2.gz	QCFWRCJPKOAHHV-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c2cccnc12	ZINC000002455799	571323143	/nfs/dbraw/zinc/32/31/43/571323143.db2.gz	CVGFJEDSATVYRD-UHFFFAOYSA-N	-1	1	362.838	4.088	50	0		FIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1	ZINC000021033456	571332322	/nfs/dbraw/zinc/33/23/22/571332322.db2.gz	ZGOCNEFCPQAVMI-UHFFFAOYSA-N	-1	1	370.430	4.028	50	0		FIAAMM
O=S(=O)([N-]c1nc2ccccc2nc1Cl)c1ccc2ccccc2c1	ZINC000003289998	571346775	/nfs/dbraw/zinc/34/67/75/571346775.db2.gz	SGXPMUXCSGOXQW-UHFFFAOYSA-N	-1	1	369.833	4.237	50	0		FIAAMM
O=C(CSc1ncc(C(F)(F)F)cc1Cl)c1ccc([O-])cc1O	ZINC000003365817	571348429	/nfs/dbraw/zinc/34/84/29/571348429.db2.gz	UOCZXEIBAFCPFW-UHFFFAOYSA-N	-1	1	363.744	4.140	50	0		FIAAMM
CCOc1ccc(-c2nc(N)nc(C)c2-c2ccc(Cl)cc2)c([O-])c1	ZINC000013125491	210233782	/nfs/dbraw/zinc/23/37/82/210233782.db2.gz	ORFGEPTUDRQERT-UHFFFAOYSA-N	-1	1	355.825	4.459	50	0		FIAAMM
FC(F)(F)c1cnc([C@@H](c2nnn[n-]2)c2ccc(Cl)cc2)c(Cl)c1	ZINC000263639808	223078716	/nfs/dbraw/zinc/07/87/16/223078716.db2.gz	JRNWCFMXDJPHCI-NSHDSACASA-N	-1	1	374.153	4.101	50	0		FIAAMM
FC(F)(F)c1cnc([C@@H](c2nn[n-]n2)c2ccc(Cl)cc2)c(Cl)c1	ZINC000263639808	223078718	/nfs/dbraw/zinc/07/87/18/223078718.db2.gz	JRNWCFMXDJPHCI-NSHDSACASA-N	-1	1	374.153	4.101	50	0		FIAAMM
Cc1ccc(F)c(NC(=O)[C@@H](C)n2c(-c3cccs3)n[n-]c2=S)c1	ZINC000064335251	212037125	/nfs/dbraw/zinc/03/71/25/212037125.db2.gz	SBHJVZUXSMDOBR-SNVBAGLBSA-N	-1	1	362.455	4.316	50	0		FIAAMM
Cc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000012863951	220036888	/nfs/dbraw/zinc/03/68/88/220036888.db2.gz	VLZPNRAGFFLCIM-UHFFFAOYSA-N	-1	1	366.870	4.044	50	0		FIAAMM
CCc1cccc(NC(=O)[C@@H](C)n2c(=S)[n-]nc2-c2cccs2)c1	ZINC000058430537	212010899	/nfs/dbraw/zinc/01/08/99/212010899.db2.gz	CNEQXLACQUYCDW-LLVKDONJSA-N	-1	1	358.492	4.431	50	0		FIAAMM
Cc1cc(C)cc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[n-]c2=S)c1	ZINC000058369480	212005849	/nfs/dbraw/zinc/00/58/49/212005849.db2.gz	IUUZAMIWBUXWLU-GFCCVEGCSA-N	-1	1	358.492	4.486	50	0		FIAAMM
CN1CCc2nc3sc4c([n-]cnc4=S)c3c(-c3ccccc3)c2C1	ZINC000017155243	211181946	/nfs/dbraw/zinc/18/19/46/211181946.db2.gz	LPQMGZHXPKSYJN-UHFFFAOYSA-N	-1	1	364.499	4.183	50	0		FIAAMM
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000001166028	210328933	/nfs/dbraw/zinc/32/89/33/210328933.db2.gz	AXAXMUZNFBKVRU-UHFFFAOYSA-N	-1	1	366.442	4.048	50	0		FIAAMM
O=S(=O)([N-]Cc1ccccc1)c1cc(Cl)c(Cl)cc1Cl	ZINC000000855887	210282768	/nfs/dbraw/zinc/28/27/68/210282768.db2.gz	LKBQRBKMICACMR-UHFFFAOYSA-N	-1	1	350.654	4.125	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1	ZINC000000786421	210271001	/nfs/dbraw/zinc/27/10/01/210271001.db2.gz	CCESMZPAVLSELJ-UHFFFAOYSA-N	-1	1	366.442	4.048	50	0		FIAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2C)cc1	ZINC000064979640	221160896	/nfs/dbraw/zinc/16/08/96/221160896.db2.gz	RIUSBUCTNRKISR-UHFFFAOYSA-N	-1	1	372.446	4.158	50	0		FIAAMM
COCc1cccc(NC(=O)[C@@H](C)n2c(=S)[n-]nc2-c2cccs2)c1	ZINC000065478396	221223878	/nfs/dbraw/zinc/22/38/78/221223878.db2.gz	FQYJDEYFVDGHDY-LLVKDONJSA-N	-1	1	374.491	4.015	50	0		FIAAMM
O=c1nc(N2CCc3ccccc3C2)[n-]c2c(-c3ccccc3)csc21	ZINC000044169279	136121644	/nfs/dbraw/zinc/12/16/44/136121644.db2.gz	UEMYAEGZGDCGJU-UHFFFAOYSA-N	-1	1	359.454	4.214	50	0		FIAAMM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1	ZINC000095067974	570451358	/nfs/dbraw/zinc/45/13/58/570451358.db2.gz	JTBXHQAKRHGIRI-UHFFFAOYSA-N	-1	1	358.232	4.006	50	0		FIAAMM
COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1C	ZINC000002883767	570542734	/nfs/dbraw/zinc/54/27/34/570542734.db2.gz	AVCDPXMTMGEYCJ-UHFFFAOYSA-N	-1	1	359.369	4.132	50	0		FIAAMM
COc1ccc(-c2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)cc1	ZINC000004939093	570562838	/nfs/dbraw/zinc/56/28/38/570562838.db2.gz	GNMQJPOFWQIVCN-UHFFFAOYSA-N	-1	1	367.455	4.180	50	0		FIAAMM
C[C@@H]1C[C@@H](CC(=O)N2CCC[C@H](c3n[n-]c(=S)n3C)C2)CC(C)(C)C1	ZINC000078621999	570633650	/nfs/dbraw/zinc/63/36/50/570633650.db2.gz	IXDMPSMIAGWLKX-ILXRZTDVSA-N	-1	1	364.559	4.036	50	0		FIAAMM
COc1ccccc1OCCCSc1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000006459046	570647415	/nfs/dbraw/zinc/64/74/15/570647415.db2.gz	MVYPRKBBSTYUSW-UHFFFAOYSA-N	-1	1	368.458	4.007	50	0		FIAAMM
CSc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2s1	ZINC000005602009	570680293	/nfs/dbraw/zinc/68/02/93/570680293.db2.gz	KCWKDKFOVLNIMT-UHFFFAOYSA-N	-1	1	370.908	4.472	50	0		FIAAMM
CC(C)c1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1	ZINC000027637362	571016753	/nfs/dbraw/zinc/01/67/53/571016753.db2.gz	YKFROYAXSQGJAA-UHFFFAOYSA-N	-1	1	358.492	4.431	50	0		FIAAMM
Cc1ccc(CNCc2c(C)n(Cc3ccccc3C)c(C)c2C(=O)[O-])o1	ZINC000008932683	571076126	/nfs/dbraw/zinc/07/61/26/571076126.db2.gz	ANHDANNEDBXORR-UHFFFAOYSA-N	-1	1	366.461	4.351	50	0		FIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1	ZINC000010512175	571127846	/nfs/dbraw/zinc/12/78/46/571127846.db2.gz	QNJSGTHWFVSZDK-UHFFFAOYSA-N	-1	1	372.471	4.174	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(C)ccc2C)cc1	ZINC000053575298	571161786	/nfs/dbraw/zinc/16/17/86/571161786.db2.gz	WDZYDBQJCPICTF-UHFFFAOYSA-N	-1	1	352.463	4.172	50	0		FIAAMM
Cc1cc(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)no1	ZINC000005937345	571168887	/nfs/dbraw/zinc/16/88/87/571168887.db2.gz	DURZGFVCCXANTQ-UHFFFAOYSA-N	-1	1	366.855	4.033	50	0		FIAAMM
COc1ccccc1C(=O)[N-]C(=O)CSc1c(Cl)cccc1Cl	ZINC000006000329	571170590	/nfs/dbraw/zinc/17/05/90/571170590.db2.gz	CNUDTCLUPMDQJL-UHFFFAOYSA-N	-1	1	370.257	4.051	50	0		FIAAMM
CCOc1ccc(Cc2c(C)nc(SCc3ccccc3)[n-]c2=O)cc1	ZINC000006388928	571183428	/nfs/dbraw/zinc/18/34/28/571183428.db2.gz	URLKALKGVWNHRX-UHFFFAOYSA-N	-1	1	366.486	4.360	50	0		FIAAMM
COc1cccc(-c2nc3c(c(=O)[n-]2)Cc2c(ccc4ccccc42)O3)c1	ZINC000006748499	571244844	/nfs/dbraw/zinc/24/48/44/571244844.db2.gz	PGJXCOTYYASHSC-UHFFFAOYSA-N	-1	1	356.381	4.295	50	0		FIAAMM
COc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc(OC)c1	ZINC000007056347	571259680	/nfs/dbraw/zinc/25/96/80/571259680.db2.gz	FMCDJPUGUQMCIX-UHFFFAOYSA-N	-1	1	363.479	4.047	50	0		FIAAMM
CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c1	ZINC000003330474	571347550	/nfs/dbraw/zinc/34/75/50/571347550.db2.gz	OHMCSYCHNDCKDM-UHFFFAOYSA-N	-1	1	367.426	4.482	50	0		FIAAMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1	ZINC000003503761	571350491	/nfs/dbraw/zinc/35/04/91/571350491.db2.gz	OOPRXFRYBONSRI-UHFFFAOYSA-N	-1	1	365.454	4.281	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3-c2ccccc2)cc1	ZINC000000704133	210262497	/nfs/dbraw/zinc/26/24/97/210262497.db2.gz	KCVLPSPJYOENQI-UHFFFAOYSA-N	-1	1	363.442	4.135	50	0		FIAAMM
Cc1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[n-]c2=S)c(F)c1	ZINC000064335247	212036750	/nfs/dbraw/zinc/03/67/50/212036750.db2.gz	JITQXFQLOCEHKG-JTQLQIEISA-N	-1	1	362.455	4.316	50	0		FIAAMM
O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2cnc(C3CC3)o2)cc1	ZINC000021033576	211304513	/nfs/dbraw/zinc/30/45/13/211304513.db2.gz	ANTPQGZZGVBFQD-UHFFFAOYSA-N	-1	1	358.394	4.159	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1F	ZINC000021033780	211303786	/nfs/dbraw/zinc/30/37/86/211303786.db2.gz	CXZREUPYEXBBOV-UHFFFAOYSA-N	-1	1	372.421	4.467	50	0		FIAAMM
Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)o1	ZINC000021031715	211302415	/nfs/dbraw/zinc/30/24/15/211302415.db2.gz	XKYQULWIWDLNJV-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
O=c1[n-]c(-c2ccccc2F)nc2c1sc(=S)n2Cc1ccccc1	ZINC000015988057	211152031	/nfs/dbraw/zinc/15/20/31/211152031.db2.gz	POCGIZKEUMLOBF-UHFFFAOYSA-N	-1	1	369.446	4.370	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1	ZINC000015942520	211150533	/nfs/dbraw/zinc/15/05/33/211150533.db2.gz	JBFPESZNTFXRNR-UHFFFAOYSA-N	-1	1	354.431	4.328	50	0		FIAAMM
CCc1cccc(NC(=O)Cn2c(-c3cccc(C)c3)n[n-]c2=S)c1	ZINC000013001636	211018672	/nfs/dbraw/zinc/01/86/72/211018672.db2.gz	DYNPXCOBRLLFCD-UHFFFAOYSA-N	-1	1	352.463	4.117	50	0		FIAAMM
Cc1ccc(CN2c3ccccc3C(=C3SC(=S)[N-]C3=O)C2=O)cc1	ZINC000001237817	210339105	/nfs/dbraw/zinc/33/91/05/210339105.db2.gz	UHAAVNSWCXYYLS-NXVVXOECSA-N	-1	1	366.467	4.241	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C(=O)CCC4)cc1	ZINC000000844077	210279393	/nfs/dbraw/zinc/27/93/93/210279393.db2.gz	PGAHHTSNARQZCS-UHFFFAOYSA-N	-1	1	355.415	4.061	50	0		FIAAMM
Cc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)c1	ZINC000067293188	221250707	/nfs/dbraw/zinc/25/07/07/221250707.db2.gz	XCADTYUKYMMOHE-GYHWCHFESA-N	-1	1	371.396	4.327	50	0		FIAAMM
O=C(Nc1nccs1)c1cc2ccc([O-])cc2o/c1=N\c1ccccc1	ZINC000067297980	221251576	/nfs/dbraw/zinc/25/15/76/221251576.db2.gz	CJHCGNPXVYNMEF-UZYVYHOESA-N	-1	1	363.398	4.080	50	0		FIAAMM
Cc1nc(SCC2CC2)[n-]c(=O)c1Cc1ccc(Cl)c(Cl)c1	ZINC000005176564	263339257	/nfs/dbraw/zinc/33/92/57/263339257.db2.gz	JNUJUJGJPADNAM-UHFFFAOYSA-N	-1	1	355.290	4.478	50	0		FIAAMM
COc1cc([O-])c(CC=C(C)C)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2	ZINC000003637160	560123909	/nfs/dbraw/zinc/12/39/09/560123909.db2.gz	YKGCBLWILMDSAV-SFHVURJKSA-N	-1	1	354.402	4.322	50	0	endogenous,in-man	FIAAMM
CC(C)OCc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1	ZINC000072265392	571008623	/nfs/dbraw/zinc/00/86/23/571008623.db2.gz	IFDRHMOYLFDNCL-UHFFFAOYSA-N	-1	1	373.396	4.431	50	0		FIAAMM
CCCCOC(=O)c1ccc(Nc2nc(-c3ccccc3)cc(=O)[n-]2)cc1	ZINC000008844078	571062864	/nfs/dbraw/zinc/06/28/64/571062864.db2.gz	BADOQNBEQJKFDA-UHFFFAOYSA-N	-1	1	363.417	4.137	50	0		FIAAMM
CCn1c2cc(OC)ccc2c(CNCc2ccccc2Cl)c1C(=O)[O-]	ZINC000009532644	571112651	/nfs/dbraw/zinc/11/26/51/571112651.db2.gz	CADJVZUFTIFCEG-UHFFFAOYSA-N	-1	1	372.852	4.311	50	0		FIAAMM
C[C@H]1CCc2sc3ncn4c(nnc4-c4cc(Cl)ccc4[O-])c3c2C1	ZINC000009576943	571113709	/nfs/dbraw/zinc/11/37/09/571113709.db2.gz	ANZPYGJBWREVLK-VIFPVBQESA-N	-1	1	370.865	4.490	50	0		FIAAMM
Cc1ccnn1-c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1	ZINC000058014204	571124100	/nfs/dbraw/zinc/12/41/00/571124100.db2.gz	YIGSAMFICHXUEO-UHFFFAOYSA-N	-1	1	363.442	4.135	50	0		FIAAMM
CCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1C	ZINC000012536279	571176055	/nfs/dbraw/zinc/17/60/55/571176055.db2.gz	IKBPCJQERBUPGE-UHFFFAOYSA-N	-1	1	368.458	4.298	50	0		FIAAMM
O=C(CSc1ncc(-c2ccccc2)n1C1CC1)c1ccc([O-])cc1O	ZINC000011263926	571217849	/nfs/dbraw/zinc/21/78/49/571217849.db2.gz	XPRHFRBCTGZZFT-UHFFFAOYSA-N	-1	1	366.442	4.271	50	0		FIAAMM
O=c1nc([C@H]2COc3ccccc3O2)[n-]c2scc(-c3cccs3)c21	ZINC000170616531	571268391	/nfs/dbraw/zinc/26/83/91/571268391.db2.gz	DLJGEDZEQGYCTL-CYBMUJFWSA-N	-1	1	368.439	4.226	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2Cl)cc1	ZINC000055528617	571335321	/nfs/dbraw/zinc/33/53/21/571335321.db2.gz	WLXMCFMCJWWJML-UHFFFAOYSA-N	-1	1	358.854	4.208	50	0		FIAAMM
O=C([N-]c1nnc(SCc2cccs2)s1)c1ccc(Cl)o1	ZINC000057747042	571345212	/nfs/dbraw/zinc/34/52/12/571345212.db2.gz	PYPYZPJIKXARRN-UHFFFAOYSA-N	-1	1	357.869	4.391	50	0		FIAAMM
CC1(C)Cc2oc3ccc([N-]S(=O)(=O)c4ccccc4)cc3c2C(=O)C1	ZINC000000751876	210266615	/nfs/dbraw/zinc/26/66/15/210266615.db2.gz	LEZZBSWCAXUCRK-UHFFFAOYSA-N	-1	1	369.442	4.389	50	0		FIAAMM
Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1	ZINC000096035240	210237308	/nfs/dbraw/zinc/23/73/08/210237308.db2.gz	BOJJAAFFHXCVPP-HJWRWDBZSA-N	-1	1	357.353	4.132	50	0		FIAAMM
FC(F)(F)c1cnc([C@@H](c2nnn[n-]2)c2ccccc2Cl)c(Cl)c1	ZINC000263640029	223077925	/nfs/dbraw/zinc/07/79/25/223077925.db2.gz	UHLDMKWOFHOCHY-NSHDSACASA-N	-1	1	374.153	4.101	50	0		FIAAMM
FC(F)(F)c1cnc([C@@H](c2nn[n-]n2)c2ccccc2Cl)c(Cl)c1	ZINC000263640029	223077928	/nfs/dbraw/zinc/07/79/28/223077928.db2.gz	UHLDMKWOFHOCHY-NSHDSACASA-N	-1	1	374.153	4.101	50	0		FIAAMM
CCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1	ZINC000012727918	220022963	/nfs/dbraw/zinc/02/29/63/220022963.db2.gz	DNWJMWAGFNNGRU-MRXNPFEDSA-N	-1	1	374.506	4.023	50	0		FIAAMM
CCOc1cccc(NC(=O)[C@H](C)n2c(=S)[n-]nc2-c2cccs2)c1	ZINC000058434037	212010814	/nfs/dbraw/zinc/01/08/14/212010814.db2.gz	HDWWRHVEYXNKCU-NSHDSACASA-N	-1	1	374.491	4.268	50	0		FIAAMM
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)co1	ZINC000021111235	211307918	/nfs/dbraw/zinc/30/79/18/211307918.db2.gz	SQWHCYYWEQZANF-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
Cc1ccc(-c2nsc([N-]C(=O)c3ccc(Br)o3)n2)s1	ZINC000015860000	211147679	/nfs/dbraw/zinc/14/76/79/211147679.db2.gz	LYZBPSHGZXGNSW-UHFFFAOYSA-N	-1	1	370.253	4.183	50	0		FIAAMM
Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cs1	ZINC000013357916	211030191	/nfs/dbraw/zinc/03/01/91/211030191.db2.gz	ZQCYHSPDUDAGFO-UHFFFAOYSA-N	-1	1	362.451	4.367	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C)c(C)c2)cc1	ZINC000012997810	211017033	/nfs/dbraw/zinc/01/70/33/211017033.db2.gz	WELXNASGKNSYCY-UHFFFAOYSA-N	-1	1	352.463	4.172	50	0		FIAAMM
Cc1ccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1	ZINC000012897067	211003122	/nfs/dbraw/zinc/00/31/22/211003122.db2.gz	CIEHJRWTACCOIR-UHFFFAOYSA-N	-1	1	352.463	4.253	50	0		FIAAMM
CCCCn1c([O-])c(C(=O)Nc2cccc(C)c2C)c(=O)c2ccccc21	ZINC000002071953	210378674	/nfs/dbraw/zinc/37/86/74/210378674.db2.gz	YWEWTWWNOLJQLD-UHFFFAOYSA-N	-1	1	364.445	4.376	50	0		FIAAMM
O=S(=O)([N-]c1ccc2oc(-c3ccccc3F)nc2c1)c1ccccc1	ZINC000001208009	210335219	/nfs/dbraw/zinc/33/52/19/210335219.db2.gz	YWZPIDNXKUNVBY-UHFFFAOYSA-N	-1	1	368.389	4.435	50	0		FIAAMM
Cc1ccccc1S(=O)(=O)[N-]c1ccc2oc3c(c2c1)C(=O)CCC3	ZINC000000944077	210292496	/nfs/dbraw/zinc/29/24/96/210292496.db2.gz	TYXRAAMDLTXWIG-UHFFFAOYSA-N	-1	1	355.415	4.061	50	0		FIAAMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2oc3c(c2c1)C(=O)CCC3	ZINC000000816414	210276193	/nfs/dbraw/zinc/27/61/93/210276193.db2.gz	MMHIKOUHGMIOJF-UHFFFAOYSA-N	-1	1	373.405	4.200	50	0		FIAAMM
COC(=O)c1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCC2)cc1	ZINC000071284378	221339542	/nfs/dbraw/zinc/33/95/42/221339542.db2.gz	MBGNIEMSIZWLMZ-INIZCTEOSA-N	-1	1	371.462	4.377	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1Cl	ZINC000001033915	132379674	/nfs/dbraw/zinc/37/96/74/132379674.db2.gz	HIAMNEPHSLDZDD-UHFFFAOYSA-N	-1	1	364.898	4.440	50	0		FIAAMM
Cc1ccsc1CN(C(=O)c1cnc(-c2cccs2)[n-]c1=O)C1CC1	ZINC000091644906	525834513	/nfs/dbraw/zinc/83/45/13/525834513.db2.gz	BMFPBLRJBRWIOQ-UHFFFAOYSA-N	-1	1	371.487	4.085	50	0		FIAAMM
O=C1[N-]C(=S)SC1=Cc1ccc(Oc2nc(Cl)ncc2F)cc1	ZINC000033849924	570591178	/nfs/dbraw/zinc/59/11/78/570591178.db2.gz	PKOGHEYEGLEZMA-YHYXMXQVSA-N	-1	1	367.814	4.391	50	0		FIAAMM
CC(=O)N(c1nc(C=C2SC(=S)[N-]C2=O)cs1)c1ccccc1	ZINC000096662802	570643921	/nfs/dbraw/zinc/64/39/21/570643921.db2.gz	RDHIWMJTSONFQG-KPKJPENVSA-N	-1	1	361.473	4.157	50	0		FIAAMM
Cc1cc([O-])c(C2=NCCS[C@@H](c3ccc(C(C)C)cc3)C2)c(=O)o1	ZINC000005441568	570656288	/nfs/dbraw/zinc/65/62/88/570656288.db2.gz	OTNIHYCQZPHTNA-GOSISDBHSA-N	-1	1	357.475	4.445	50	0	biogenic	FIAAMM
Cc1cc(=O)[n-]c(SCC(=O)c2ccc([C@H]3CC3(Cl)Cl)cc2)n1	ZINC000009143575	570691785	/nfs/dbraw/zinc/69/17/85/570691785.db2.gz	OGXDNWOUJPSLIV-GFCCVEGCSA-N	-1	1	369.273	4.127	50	0		FIAAMM
Cc1cc(=O)[n-]c(SCC(=O)c2ccc([C@@H]3CC3(Cl)Cl)cc2)n1	ZINC000009143574	570691792	/nfs/dbraw/zinc/69/17/92/570691792.db2.gz	OGXDNWOUJPSLIV-LBPRGKRZSA-N	-1	1	369.273	4.127	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(C)cc(C)c2)c1	ZINC000012787583	570760779	/nfs/dbraw/zinc/76/07/79/570760779.db2.gz	HJWNPVFYJDUDQD-UHFFFAOYSA-N	-1	1	352.463	4.172	50	0		FIAAMM
CSc1ccccc1-c1nnc([N-]C(=O)c2nc3ccccc3s2)o1	ZINC000005240180	570935226	/nfs/dbraw/zinc/93/52/26/570935226.db2.gz	VLANCYUXBCHMTM-UHFFFAOYSA-N	-1	1	368.443	4.321	50	0		FIAAMM
CC(C)c1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1	ZINC000037385878	571082397	/nfs/dbraw/zinc/08/23/97/571082397.db2.gz	FCINDBJRUBHEEV-UHFFFAOYSA-N	-1	1	354.269	4.373	50	0		FIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)c1	ZINC000006181573	571152668	/nfs/dbraw/zinc/15/26/68/571152668.db2.gz	ZXOWYCCNZVWSHB-UHFFFAOYSA-N	-1	1	363.442	4.111	50	0		FIAAMM
CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C	ZINC000012536106	571176062	/nfs/dbraw/zinc/17/60/62/571176062.db2.gz	YVWFYHWGODJMAQ-MRXNPFEDSA-N	-1	1	374.506	4.023	50	0		FIAAMM
CCCSc1nnc([N-]C(=O)c2c(C)noc2-c2ccccc2)s1	ZINC000035671488	571186906	/nfs/dbraw/zinc/18/69/06/571186906.db2.gz	AMFMWRIASFMJKW-UHFFFAOYSA-N	-1	1	360.464	4.256	50	0		FIAAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1	ZINC000005238127	571214098	/nfs/dbraw/zinc/21/40/98/571214098.db2.gz	VDTMNMPEEOEFDN-UHFFFAOYSA-N	-1	1	359.495	4.056	50	0		FIAAMM
CN1C(=S)S[C@H](N([O-])C(=O)Nc2cccc3ccccc32)C1(C)C	ZINC000004795237	571236772	/nfs/dbraw/zinc/23/67/72/571236772.db2.gz	PPXDDSODTJMVDB-AWEZNQCLSA-N	-1	1	361.492	4.131	50	0		FIAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)Nc1ccc(C(C)C)cc1	ZINC000006660779	571239732	/nfs/dbraw/zinc/23/97/32/571239732.db2.gz	QHLFUEYAZYBUTM-UHFFFAOYSA-N	-1	1	351.402	4.112	50	0		FIAAMM
CCOc1ccccc1-c1nc2c(c(=O)[n-]1)Cc1cc(Cl)ccc1O2	ZINC000006748533	571244861	/nfs/dbraw/zinc/24/48/61/571244861.db2.gz	ZFRIHDGMAGBUMG-UHFFFAOYSA-N	-1	1	354.793	4.186	50	0		FIAAMM
COc1cccc2c1Oc1nc(-c3cccc(OC(C)C)c3)[n-]c(=O)c1C2	ZINC000006748553	571244911	/nfs/dbraw/zinc/24/49/11/571244911.db2.gz	BUZCFQNSCXPSGW-UHFFFAOYSA-N	-1	1	364.401	4.342	50	0		FIAAMM
Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3	ZINC000006930176	571254877	/nfs/dbraw/zinc/25/48/77/571254877.db2.gz	DDLYMAGNSONMFI-UHFFFAOYSA-N	-1	1	358.438	4.295	50	0		FIAAMM
O=C(c1cccs1)C1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1	ZINC000095963647	571333134	/nfs/dbraw/zinc/33/31/34/571333134.db2.gz	ALVPNFKEVNCKOB-UHFFFAOYSA-N	-1	1	365.454	4.342	50	0		FIAAMM
O=S(=O)([N-]c1ccc(F)cc1)c1ccc2[nH]c(-c3ccccc3)nc2c1	ZINC000002468110	571337058	/nfs/dbraw/zinc/33/70/58/571337058.db2.gz	DADUQUFMVMENBE-UHFFFAOYSA-N	-1	1	367.405	4.170	50	0		FIAAMM
CC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000028409702	571339144	/nfs/dbraw/zinc/33/91/44/571339144.db2.gz	CDNVEMDTUFGKFR-CQSZACIVSA-N	-1	1	360.479	4.089	50	0		FIAAMM
Cn1[n-]c(=O)c2cc(NC(=O)Nc3cccc(Cl)c3Cl)ccc21	ZINC000675027918	1090917803	/nfs/dbraw/zinc/91/78/03/1090917803.db2.gz	HYDAZEREPUEZJP-UHFFFAOYSA-N	-1	1	351.193	4.230	50	0		FIAAMM
O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(Cl)c(Cl)c1	ZINC000005861219	1094514189	/nfs/dbraw/zinc/51/41/89/1094514189.db2.gz	UBQCRUBTZBNWNS-UHFFFAOYSA-N	-1	1	365.168	4.162	50	0		FIAAMM
CCOc1ccc(-c2nc(N)ncc2Oc2ccccc2OCC)c([O-])c1	ZINC000002404930	210226076	/nfs/dbraw/zinc/22/60/76/210226076.db2.gz	HWSBYCOGTMKICM-UHFFFAOYSA-N	-1	1	367.405	4.021	50	0		FIAAMM
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc(Cl)c2Cl)N1	ZINC000000754297	219318258	/nfs/dbraw/zinc/31/82/58/219318258.db2.gz	UTVGARSJGBIOIP-GOEBONIOSA-N	-1	1	361.228	4.163	50	0		FIAAMM
CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)c1	ZINC000010514307	219904481	/nfs/dbraw/zinc/90/44/81/219904481.db2.gz	SWGRWQLOYGXCKW-UHFFFAOYSA-N	-1	1	357.353	4.017	50	0		FIAAMM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1	ZINC000064837709	212044819	/nfs/dbraw/zinc/04/48/19/212044819.db2.gz	MVRSXZCUVRIZNU-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
Cc1cccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[n-]c2=S)c1C	ZINC000064334291	212037860	/nfs/dbraw/zinc/03/78/60/212037860.db2.gz	BYWPPENERWBUIE-LBPRGKRZSA-N	-1	1	358.492	4.486	50	0		FIAAMM
Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)c3cc(C)ccc3[O-])cc12	ZINC000012588894	220010661	/nfs/dbraw/zinc/01/06/61/220010661.db2.gz	LZORNDPSXVWRHW-UHFFFAOYSA-N	-1	1	357.413	4.282	50	0		FIAAMM
CCOc1ccccc1NC(=O)[C@H](C)n1c(=S)[n-]nc1-c1cccs1	ZINC000058421702	212009072	/nfs/dbraw/zinc/00/90/72/212009072.db2.gz	DMZOSBFZVQCUEW-NSHDSACASA-N	-1	1	374.491	4.268	50	0		FIAAMM
CSc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C)[nH]n3)ccc2C)c1	ZINC000021917494	211329871	/nfs/dbraw/zinc/32/98/71/211329871.db2.gz	FOCPOJGNLYHEQZ-UHFFFAOYSA-N	-1	1	373.503	4.216	50	0		FIAAMM
Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)o1	ZINC000021031982	211303456	/nfs/dbraw/zinc/30/34/56/211303456.db2.gz	VWKPLFHMCNDPOW-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2coc(C)n2)cc1	ZINC000021111319	211307551	/nfs/dbraw/zinc/30/75/51/211307551.db2.gz	XGTWTTBPIHAKOA-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C	ZINC000020580106	211287296	/nfs/dbraw/zinc/28/72/96/211287296.db2.gz	PMTOSQGRECRFPE-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
CCCCCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[n-]c1=O	ZINC000018266644	211198109	/nfs/dbraw/zinc/19/81/09/211198109.db2.gz	ONPBYZCAOXGLIB-UHFFFAOYSA-N	-1	1	351.454	4.115	50	0		FIAAMM
Cc1ccc(OCCOc2ccccc2C=C2SC(=O)[N-]C2=O)c(C)c1	ZINC000015800214	211144358	/nfs/dbraw/zinc/14/43/58/211144358.db2.gz	IXUGVDNWGSXGNZ-PDGQHHTCSA-N	-1	1	369.442	4.085	50	0		FIAAMM
CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000005867406	210644491	/nfs/dbraw/zinc/64/44/91/210644491.db2.gz	VTEDPPZCUKIYSD-UHFFFAOYSA-N	-1	1	367.854	4.098	50	0		FIAAMM
O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(C2CCCCC2)cc1	ZINC000001428378	210352089	/nfs/dbraw/zinc/35/20/89/210352089.db2.gz	SXNAPDIDZWSXBP-UHFFFAOYSA-N	-1	1	359.447	4.264	50	0		FIAAMM
O=C([N-]C(=S)Nc1ccccc1OC(F)(F)F)Oc1ccccc1	ZINC000001038238	210304413	/nfs/dbraw/zinc/30/44/13/210304413.db2.gz	KNLVNGPNCBGLNA-UHFFFAOYSA-N	-1	1	356.325	4.071	50	0		FIAAMM
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)S1	ZINC000000975826	210297683	/nfs/dbraw/zinc/29/76/83/210297683.db2.gz	OYRIOQSXKAXTAH-KPKJPENVSA-N	-1	1	350.193	4.033	50	0		FIAAMM
CC(C)Cc1sc(Cl)nc1C(=O)[N-]c1nnc(C2CCC2)s1	ZINC000096224132	222086768	/nfs/dbraw/zinc/08/67/68/222086768.db2.gz	VJGVOSICSIULIZ-UHFFFAOYSA-N	-1	1	356.904	4.366	50	0		FIAAMM
COc1cccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c1	ZINC000020580438	526210705	/nfs/dbraw/zinc/21/07/05/526210705.db2.gz	MWIFIXIWLUCSKA-UHFFFAOYSA-N	-1	1	372.446	4.076	50	0		FIAAMM
Cc1csc2nc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cn12	ZINC000005084040	570582424	/nfs/dbraw/zinc/58/24/24/570582424.db2.gz	LTCJMGCZJFJUJM-UHFFFAOYSA-N	-1	1	369.471	4.172	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)s1	ZINC000132438586	570618341	/nfs/dbraw/zinc/61/83/41/570618341.db2.gz	JIVJOZXJVIFQDD-UHFFFAOYSA-N	-1	1	366.689	4.273	50	0		FIAAMM
O=c1cc(-c2ccccc2)nc(SCc2ccc(Br)cc2)[n-]1	ZINC000005154886	570621513	/nfs/dbraw/zinc/62/15/13/570621513.db2.gz	GJXUZICXHBRKKJ-UHFFFAOYSA-N	-1	1	373.275	4.492	50	0		FIAAMM
CCn1c(=S)[n-]nc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1	ZINC000005557434	570630722	/nfs/dbraw/zinc/63/07/22/570630722.db2.gz	YRQTZBIBMOHZRX-CYBMUJFWSA-N	-1	1	352.891	4.131	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1Cl	ZINC000006627193	570650565	/nfs/dbraw/zinc/65/05/65/570650565.db2.gz	VBNLEILJPATNKN-UHFFFAOYSA-N	-1	1	360.660	4.212	50	0		FIAAMM
COc1ccc(OCc2ccc(-c3n[n-]c(=S)n3CC(C)C)o2)cc1	ZINC000002792344	570673781	/nfs/dbraw/zinc/67/37/81/570673781.db2.gz	KDCIUYIWNITNHU-UHFFFAOYSA-N	-1	1	359.451	4.444	50	0		FIAAMM
Cc1cccc(Nc2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)c1	ZINC000007882907	570674877	/nfs/dbraw/zinc/67/48/77/570674877.db2.gz	ZMVIRHNZQDMDOK-OAHLLOKOSA-N	-1	1	373.865	4.087	50	0		FIAAMM
Cc1ccc(Cc2nnc([N-]C(=O)c3nc4ccccc4s3)o2)c(C)c1	ZINC000008922350	570686444	/nfs/dbraw/zinc/68/64/44/570686444.db2.gz	MJZQWCWDNMWLSA-UHFFFAOYSA-N	-1	1	364.430	4.139	50	0		FIAAMM
COc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1OC	ZINC000032754901	570794242	/nfs/dbraw/zinc/79/42/42/570794242.db2.gz	USVCYDJJEDZAJV-UHFFFAOYSA-N	-1	1	369.442	4.172	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(F)cc(F)c2)cc1	ZINC000010665201	570902269	/nfs/dbraw/zinc/90/22/69/570902269.db2.gz	FYZNFCRFIZFQML-UHFFFAOYSA-N	-1	1	374.416	4.223	50	0		FIAAMM
O=C1C[C@@H](c2ccc([O-])c(Cl)c2)c2cnn(Cc3ccccc3)c2N1	ZINC000049549042	570963973	/nfs/dbraw/zinc/96/39/73/570963973.db2.gz	UIUJFUILLXGELT-AWEZNQCLSA-N	-1	1	353.809	4.414	50	0		FIAAMM
Cc1cccn2cc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)nc12	ZINC000006093588	571120299	/nfs/dbraw/zinc/12/02/99/571120299.db2.gz	KBMLPMMPXDEYCI-UHFFFAOYSA-N	-1	1	363.442	4.111	50	0		FIAAMM
CSc1nc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2s1	ZINC000006317096	571177592	/nfs/dbraw/zinc/17/75/92/571177592.db2.gz	MQXAFIQXECNDGD-UHFFFAOYSA-N	-1	1	364.517	4.436	50	0		FIAAMM
Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c(C)s2)on1	ZINC000075435298	571178926	/nfs/dbraw/zinc/17/89/26/571178926.db2.gz	ORXZFLWQARKQMD-UHFFFAOYSA-N	-1	1	362.476	4.438	50	0		FIAAMM
CSc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2s1	ZINC000033298804	571231101	/nfs/dbraw/zinc/23/11/01/571231101.db2.gz	RDEYNUQKKPXCGR-UHFFFAOYSA-N	-1	1	368.480	4.267	50	0		FIAAMM
CCc1cc2c(COC(=O)CCCc3cccs3)cc(=O)oc2cc1[O-]	ZINC000011318988	571232005	/nfs/dbraw/zinc/23/20/05/571232005.db2.gz	OSFGTNXQNKVAPG-UHFFFAOYSA-N	-1	1	372.442	4.189	50	0		FIAAMM
CN1C(=S)S[C@@H](N([O-])C(=O)Nc2cccc3ccccc32)C1(C)C	ZINC000004795234	571236756	/nfs/dbraw/zinc/23/67/56/571236756.db2.gz	PPXDDSODTJMVDB-CQSZACIVSA-N	-1	1	361.492	4.131	50	0		FIAAMM
CCOc1cccc(-c2nc3c(c(=O)[n-]2)Cc2cc(Cl)ccc2O3)c1	ZINC000006748420	571244778	/nfs/dbraw/zinc/24/47/78/571244778.db2.gz	QDQQRYQOLLCILS-UHFFFAOYSA-N	-1	1	354.793	4.186	50	0		FIAAMM
CCCOc1cccc(-c2nc3c(c(=O)[n-]2)Cc2cccc(OC)c2O3)c1	ZINC000006748536	571244853	/nfs/dbraw/zinc/24/48/53/571244853.db2.gz	ADRAGYNNJVLERD-UHFFFAOYSA-N	-1	1	364.401	4.343	50	0		FIAAMM
CCCOc1ccc(-c2nonc2[N-]C(=O)c2ccco2)cc1OCCC	ZINC000006811506	571247806	/nfs/dbraw/zinc/24/78/06/571247806.db2.gz	YAQXGWXFDFTKQO-UHFFFAOYSA-N	-1	1	371.393	4.160	50	0		FIAAMM
O=C(OCc1cc(=O)oc2cc([O-])ccc12)C1(c2ccccc2)CCCC1	ZINC000007512459	571267087	/nfs/dbraw/zinc/26/70/87/571267087.db2.gz	BYBDJKVZJZJTLR-UHFFFAOYSA-N	-1	1	364.397	4.054	50	0		FIAAMM
O=C([N-]CCCSc1nc2cc(Cl)ccc2s1)C(F)(F)F	ZINC000079111582	571327065	/nfs/dbraw/zinc/32/70/65/571327065.db2.gz	ZSJSWIGDFUOFGV-UHFFFAOYSA-N	-1	1	354.806	4.110	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cc3sc(=O)oc3c3ccccc23)cc1	ZINC000002497164	571337481	/nfs/dbraw/zinc/33/74/81/571337481.db2.gz	SAFFQXIHUBKGDX-UHFFFAOYSA-N	-1	1	371.439	4.117	50	0		FIAAMM
C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](C(=O)[O-])C1	ZINC000299741421	571338273	/nfs/dbraw/zinc/33/82/73/571338273.db2.gz	FTTYYUPYSAKUFE-IUCAKERBSA-N	-1	1	355.278	4.192	50	0		FIAAMM
O=C(Oc1ccccc1)c1cc(Br)cc(Br)c1[O-]	ZINC000002565488	571339030	/nfs/dbraw/zinc/33/90/30/571339030.db2.gz	BATZALKOFHDVMJ-UHFFFAOYSA-N	-1	1	372.012	4.136	50	0		FIAAMM
CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc2o1	ZINC000032097485	571355723	/nfs/dbraw/zinc/35/57/23/571355723.db2.gz	GDHWISCCLKKJTL-UHFFFAOYSA-N	-1	1	366.389	4.204	50	0		FIAAMM
O=C([N-]c1nnc(-c2ccccc2Cl)o1)c1nc2ccccc2s1	ZINC000004275911	571357481	/nfs/dbraw/zinc/35/74/81/571357481.db2.gz	GBIIBNOFRIZKOG-UHFFFAOYSA-N	-1	1	356.794	4.252	50	0		FIAAMM
FC(F)(F)c1cnc([C@@H](c2nnn[n-]2)c2cccc(Cl)c2)c(Cl)c1	ZINC000263640104	223078286	/nfs/dbraw/zinc/07/82/86/223078286.db2.gz	XUAGXUUHVGRNBA-NSHDSACASA-N	-1	1	374.153	4.101	50	0		FIAAMM
FC(F)(F)c1cnc([C@@H](c2nn[n-]n2)c2cccc(Cl)c2)c(Cl)c1	ZINC000263640104	223078289	/nfs/dbraw/zinc/07/82/89/223078289.db2.gz	XUAGXUUHVGRNBA-NSHDSACASA-N	-1	1	374.153	4.101	50	0		FIAAMM
CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CCC)cc2)c1C	ZINC000063181297	212031181	/nfs/dbraw/zinc/03/11/81/212031181.db2.gz	YCAUFYXBZWVMHL-UHFFFAOYSA-N	-1	1	374.506	4.487	50	0		FIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)c1	ZINC000020990313	211301338	/nfs/dbraw/zinc/30/13/38/211301338.db2.gz	XGJRHMRWYKYQBL-UHFFFAOYSA-N	-1	1	368.458	4.105	50	0		FIAAMM
Cc1nc(SCc2nc3ccccc3[nH]2)[n-]c(=O)c1Cc1ccccc1	ZINC000018206897	211195686	/nfs/dbraw/zinc/19/56/86/211195686.db2.gz	LNPOWCCJPTWBMQ-UHFFFAOYSA-N	-1	1	362.458	4.250	50	0		FIAAMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)cc1	ZINC000016097187	211155487	/nfs/dbraw/zinc/15/54/87/211155487.db2.gz	FWWFKGLIZKQJDH-UHFFFAOYSA-N	-1	1	363.438	4.261	50	0		FIAAMM
Oc1ccc(Br)cc1-c1n[n-]c(=S)n1Cc1ccccc1	ZINC000013124881	211024224	/nfs/dbraw/zinc/02/42/24/211024224.db2.gz	VCPDKEGUUWNTQU-UHFFFAOYSA-N	-1	1	362.252	4.124	50	0		FIAAMM
CC(=O)c1ccc([N-]c2nnc(-c3cccc(Br)c3)o2)cc1	ZINC000012533921	210964255	/nfs/dbraw/zinc/96/42/55/210964255.db2.gz	GDLKRZIGLHERML-UHFFFAOYSA-N	-1	1	358.195	4.445	50	0		FIAAMM
O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccc1)c1ccccc1	ZINC000003997663	210501737	/nfs/dbraw/zinc/50/17/37/210501737.db2.gz	WMAJSHXGPTZRKA-UHFFFAOYSA-N	-1	1	366.364	4.297	50	0		FIAAMM
Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1	ZINC000001111500	210318521	/nfs/dbraw/zinc/31/85/21/210318521.db2.gz	OTXDIBOMUNRANC-UHFFFAOYSA-N	-1	1	366.442	4.048	50	0		FIAAMM
CCOC(=O)NC(=S)[N-]c1ccc(C(C)(C)C)cc1Br	ZINC000001042736	210305888	/nfs/dbraw/zinc/30/58/88/210305888.db2.gz	GMXODFQIYRQPFS-UHFFFAOYSA-N	-1	1	359.289	4.190	50	0		FIAAMM
O=S(=O)([N-]c1cccc(Br)c1)c1ccc2ccccc2c1	ZINC000000869539	210283962	/nfs/dbraw/zinc/28/39/62/210283962.db2.gz	DYHCVDGAORCSJU-UHFFFAOYSA-N	-1	1	362.248	4.403	50	0		FIAAMM
CCc1ccc([C@H](C)NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1	ZINC000065530439	221231365	/nfs/dbraw/zinc/23/13/65/221231365.db2.gz	IWZSZLXZBLTXFX-LBPRGKRZSA-N	-1	1	372.519	4.109	50	0		FIAAMM
CSc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1	ZINC000020580267	526138876	/nfs/dbraw/zinc/13/88/76/526138876.db2.gz	UBSJADJZHVYJIZ-UHFFFAOYSA-N	-1	1	374.487	4.481	50	0		FIAAMM
CSc1nnc2c(n1)O[C@@H](c1ccc([O-])c(Cl)c1)Nc1ccccc1-2	ZINC000002977889	570545856	/nfs/dbraw/zinc/54/58/56/570545856.db2.gz	BOVQCYPDMUEZOK-HNNXBMFYSA-N	-1	1	372.837	4.123	50	0		FIAAMM
O=C([N-]c1c(F)c(F)c(Br)c(F)c1F)c1cccs1	ZINC000004804921	570607205	/nfs/dbraw/zinc/60/72/05/570607205.db2.gz	LPAANKUSQYKZRJ-UHFFFAOYSA-N	-1	1	354.122	4.319	50	0		FIAAMM
CCc1nnc([N-]C(=O)c2c(C)onc2-c2c(F)cccc2Cl)s1	ZINC000007348266	570662860	/nfs/dbraw/zinc/66/28/60/570662860.db2.gz	INPYANNCHYIUTQ-UHFFFAOYSA-N	-1	1	366.805	4.109	50	0		FIAAMM
CCCCCc1c(C)nc(Nc2nc(C)c3cccc(C)c3n2)[n-]c1=O	ZINC000009014268	570690975	/nfs/dbraw/zinc/69/09/75/570690975.db2.gz	MJTIKVAKYOYLOI-UHFFFAOYSA-N	-1	1	351.454	4.115	50	0		FIAAMM
CSc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1	ZINC000012039734	570888378	/nfs/dbraw/zinc/88/83/78/570888378.db2.gz	DSBVIBRGLISHKC-UHFFFAOYSA-N	-1	1	370.503	4.277	50	0		FIAAMM
CCOc1ccc(-c2nc(CSc3nc(C)c(C)c(=O)[n-]3)c(C)o2)cc1	ZINC000045924651	570915284	/nfs/dbraw/zinc/91/52/84/570915284.db2.gz	PYXPBYYCAMEEKC-UHFFFAOYSA-N	-1	1	371.462	4.041	50	0		FIAAMM
CSc1ccc(CN(C)C(=O)c2cc(Br)ccc2[O-])cc1	ZINC000028812916	571034782	/nfs/dbraw/zinc/03/47/82/571034782.db2.gz	AAWCHSOGNKOWQY-UHFFFAOYSA-N	-1	1	366.280	4.149	50	0		FIAAMM
CCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1C	ZINC000012757457	571078259	/nfs/dbraw/zinc/07/82/59/571078259.db2.gz	XDTIACVSAJHYJF-UHFFFAOYSA-N	-1	1	372.490	4.023	50	0		FIAAMM
O=C1[N-]C(=O)C(=Cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)S1	ZINC000009310520	571103802	/nfs/dbraw/zinc/10/38/02/571103802.db2.gz	CUOWDGRHXSZRIS-REZTVBANSA-N	-1	1	355.459	4.184	50	0		FIAAMM
CCc1ccc(-c2nn(-c3ccccc3)c3[n-]c(COC)cc(=O)c23)cc1	ZINC000009578682	571114107	/nfs/dbraw/zinc/11/41/07/571114107.db2.gz	PVFBZZFWKCFIKF-UHFFFAOYSA-N	-1	1	359.429	4.090	50	0		FIAAMM
CCCCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1	ZINC000012541630	571177636	/nfs/dbraw/zinc/17/76/36/571177636.db2.gz	XPQKRJGMLATIQJ-UHFFFAOYSA-N	-1	1	374.506	4.058	50	0		FIAAMM
O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)[N-]C(=O)c1ccccc1	ZINC000011300279	571231700	/nfs/dbraw/zinc/23/17/00/571231700.db2.gz	JUBMKQRDNQWPIN-UHFFFAOYSA-N	-1	1	372.833	4.044	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc4c3CCCC4)cc2)on1	ZINC000006887497	571253148	/nfs/dbraw/zinc/25/31/48/571253148.db2.gz	CIJHOSAEPBGLCS-UHFFFAOYSA-N	-1	1	368.458	4.330	50	0		FIAAMM
CCc1cccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1	ZINC000006929944	571254833	/nfs/dbraw/zinc/25/48/33/571254833.db2.gz	JWSVJHQZVWSTIY-UHFFFAOYSA-N	-1	1	354.475	4.410	50	0		FIAAMM
O=S(=O)([N-]c1cccc(F)c1)c1ccc2[nH]c3c(c2c1)CCCCC3	ZINC000007003215	571257009	/nfs/dbraw/zinc/25/70/09/571257009.db2.gz	FHANQRFVIQQGLN-UHFFFAOYSA-N	-1	1	358.438	4.377	50	0		FIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1	ZINC000007055877	571259567	/nfs/dbraw/zinc/25/95/67/571259567.db2.gz	NSPKQVHODVHKGL-UHFFFAOYSA-N	-1	1	359.419	4.201	50	0		FIAAMM
O=c1oc2ccccc2c([O-])c1-c1c(-c2ccc(O)cc2)nc2ccccn21	ZINC000888088920	1086537925	/nfs/dbraw/zinc/53/79/25/1086537925.db2.gz	XQMBFKLQCKXAJS-UHFFFAOYSA-N	-1	1	370.364	4.186	50	0		FIAAMM
COC(=O)NC(=S)[N-]c1ccc(Oc2ccc(OC)cc2)c(Cl)c1	ZINC000000722129	210265384	/nfs/dbraw/zinc/26/53/84/210265384.db2.gz	ZEZQGQBXNPRDLT-UHFFFAOYSA-N	-1	1	366.826	4.194	50	0		FIAAMM
COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2[O-])cc1Cl	ZINC000000640080	210255192	/nfs/dbraw/zinc/25/51/92/210255192.db2.gz	XDWATWCCUTYUDE-UHFFFAOYSA-N	-1	1	357.793	4.468	50	0		FIAAMM
O=c1cc(O[C@H]2CCCCC2=O)cc2oc(-c3ccccc3)cc([O-])c1-2	ZINC000000633871	210254577	/nfs/dbraw/zinc/25/45/77/210254577.db2.gz	FOFVEQNMJXLXBU-SFHVURJKSA-N	-1	1	350.370	4.056	50	0	biogenic	FIAAMM
O=c1cc(-c2ccccc2)oc2cc(O[C@H]3CCCCC3=O)cc([O-])c12	ZINC000000633871	210254580	/nfs/dbraw/zinc/25/45/80/210254580.db2.gz	FOFVEQNMJXLXBU-SFHVURJKSA-N	-1	1	350.370	4.056	50	0	biogenic	FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)cc1	ZINC000000629286	210253088	/nfs/dbraw/zinc/25/30/88/210253088.db2.gz	PWMFUSKRVYRSFA-UHFFFAOYSA-N	-1	1	369.471	4.172	50	0		FIAAMM
COc1cccc2cc(-c3nnc([N-]C(=O)c4c(F)cccc4F)o3)oc21	ZINC000009167271	210249235	/nfs/dbraw/zinc/24/92/35/210249235.db2.gz	CTAQQVKKEGHSLO-UHFFFAOYSA-N	-1	1	371.299	4.022	50	0		FIAAMM
Cc1ccc(NC(=O)Cc2n[n-]c(=S)n2Cc2ccccc2)cc1Cl	ZINC000011427605	210233136	/nfs/dbraw/zinc/23/31/36/210233136.db2.gz	ZLKKLPZKUGDIAY-UHFFFAOYSA-N	-1	1	372.881	4.132	50	0		FIAAMM
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(Cl)cc2Cl)N1	ZINC000003910373	210229025	/nfs/dbraw/zinc/22/90/25/210229025.db2.gz	ZJDRIKAAFJMYGX-CVEARBPZSA-N	-1	1	361.228	4.163	50	0	biogenic	FIAAMM
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ncc(-c2ccc(Cl)cc2)o1	ZINC000294190855	210225369	/nfs/dbraw/zinc/22/53/69/210225369.db2.gz	GDYRZOUIQOTQNW-BPUTZDHNSA-N	-1	1	360.841	4.213	50	0		FIAAMM
O=C(Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)c1cccs1	ZINC000000950620	219345260	/nfs/dbraw/zinc/34/52/60/219345260.db2.gz	CZHLFRYGZNBLEV-UHFFFAOYSA-N	-1	1	369.286	4.313	50	0		FIAAMM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000064837637	212045371	/nfs/dbraw/zinc/04/53/71/212045371.db2.gz	PQEXASAMFLTIIZ-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(Cl)c2)cc1	ZINC000058411624	212009397	/nfs/dbraw/zinc/00/93/97/212009397.db2.gz	NCDYFFDUBJFRBL-UHFFFAOYSA-N	-1	1	358.854	4.208	50	0		FIAAMM
CCc1ccccc1NC(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S	ZINC000012909066	220041136	/nfs/dbraw/zinc/04/11/36/220041136.db2.gz	GXWUSCHUKGNYQT-UHFFFAOYSA-N	-1	1	352.463	4.117	50	0		FIAAMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)cc1	ZINC000014256665	220121127	/nfs/dbraw/zinc/12/11/27/220121127.db2.gz	DPXULVGYATUDDL-AWEZNQCLSA-N	-1	1	361.463	4.178	50	0		FIAAMM
O=S(=O)([N-]c1cccc(F)c1)c1ccc(-c2cnc(C3CC3)o2)cc1	ZINC000021033569	211303972	/nfs/dbraw/zinc/30/39/72/211303972.db2.gz	YDNGEXHUDDSNBY-UHFFFAOYSA-N	-1	1	358.394	4.159	50	0		FIAAMM
O=c1[n-]c(-c2ccc(F)cc2)nc2c1sc(=S)n2-c1ccccc1	ZINC000015988055	211151526	/nfs/dbraw/zinc/15/15/26/211151526.db2.gz	HQKVCSDEEBHKFK-UHFFFAOYSA-N	-1	1	355.419	4.311	50	0	aggregator	FIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1	ZINC000015942518	211150526	/nfs/dbraw/zinc/15/05/26/211150526.db2.gz	DTAGBKGDUOEGSH-UHFFFAOYSA-N	-1	1	354.431	4.328	50	0		FIAAMM
O=c1cc([O-])[nH]c2c1sc1nc(-c3ccncc3)cc(C(F)(F)F)c12	ZINC000013401791	211033092	/nfs/dbraw/zinc/03/30/92/211033092.db2.gz	SRTQIISYGUSLIN-UHFFFAOYSA-N	-1	1	363.320	4.337	50	0		FIAAMM
CCOCCSc1nc2c(c(=O)[n-]1)[C@H](C1CCCC1)Cc1ccccc1-2	ZINC000005690553	210636155	/nfs/dbraw/zinc/63/61/55/210636155.db2.gz	NBHYGBWSQKKJJN-KRWDZBQOSA-N	-1	1	370.518	4.395	50	0		FIAAMM
Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccccc1)C(=O)CCC3	ZINC000004735815	210559144	/nfs/dbraw/zinc/55/91/44/210559144.db2.gz	FCVLMHOXUYGHNB-UHFFFAOYSA-N	-1	1	355.415	4.061	50	0		FIAAMM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000001184309	210332789	/nfs/dbraw/zinc/33/27/89/210332789.db2.gz	GJZIKUSZDMFXLZ-UHFFFAOYSA-N	-1	1	360.660	4.212	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)c(Cl)c1	ZINC000065031114	221165007	/nfs/dbraw/zinc/16/50/07/221165007.db2.gz	RHOAIEWJAVMZOD-UHFFFAOYSA-N	-1	1	354.840	4.166	50	0		FIAAMM
CCCCn1cc(S(=O)(=O)[N-]c2cc(C)ccc2F)c2cccnc21	ZINC000065242353	221186025	/nfs/dbraw/zinc/18/60/25/221186025.db2.gz	QLJRNJXZVMNRBK-UHFFFAOYSA-N	-1	1	361.442	4.085	50	0		FIAAMM
CC(=O)N[C@@H]1C[C@H](C2CCCCC2)O[C@H](c2ccc([O-])c(Cl)c2)C1	ZINC000065406906	221214994	/nfs/dbraw/zinc/21/49/94/221214994.db2.gz	KTMXCNBCPCJDME-LZQZEXGQSA-N	-1	1	351.874	4.351	50	0		FIAAMM
O=C(c1cc2ccccc2cc1[O-])N1CCN(C/C=C\c2ccccc2)CC1	ZINC000096536640	222123980	/nfs/dbraw/zinc/12/39/80/222123980.db2.gz	VORCALHABLCNQR-TWGQIWQCSA-N	-1	1	372.468	4.017	50	0		FIAAMM
O=C(Nc1ccccc1)c1cc2ccc([O-])cc2o/c1=N\Nc1ccccc1	ZINC000004680013	263335602	/nfs/dbraw/zinc/33/56/02/263335602.db2.gz	ZOFOQWBTYLCCEQ-LVWGJNHUSA-N	-1	1	371.396	4.319	50	0		FIAAMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1	ZINC000095067965	570451214	/nfs/dbraw/zinc/45/12/14/570451214.db2.gz	RFHAXSOPIVSJNQ-UHFFFAOYSA-N	-1	1	358.232	4.006	50	0		FIAAMM
O=S(=O)([N-]c1ccc2ccccc2c1)c1ccc(Br)cc1	ZINC000002501317	570522840	/nfs/dbraw/zinc/52/28/40/570522840.db2.gz	UKUFWQHANJXPCO-UHFFFAOYSA-N	-1	1	362.248	4.403	50	0		FIAAMM
O=C(CC([O-])(C(F)(F)F)C(F)(F)F)Nc1cccc(Cl)c1Cl	ZINC000002764888	570531251	/nfs/dbraw/zinc/53/12/51/570531251.db2.gz	UIFWGNZGVFGIOO-UHFFFAOYSA-N	-1	1	370.076	4.178	50	0		FIAAMM
Cc1ccc(C(=O)NC(=Cc2ccccc2Cl)c2n[n-]c(=S)[nH]2)cc1	ZINC000004828803	570608829	/nfs/dbraw/zinc/60/88/29/570608829.db2.gz	CYNBFONQACAXSD-GDNBJRDFSA-N	-1	1	370.865	4.357	50	0		FIAAMM
CCc1n[n-]c(=S)n1NCc1ccc(-c2ccc(OC)c(Cl)c2)o1	ZINC000008339268	570680886	/nfs/dbraw/zinc/68/08/86/570680886.db2.gz	JKOUPXXLPDXGBO-UHFFFAOYSA-N	-1	1	364.858	4.169	50	0		FIAAMM
O=C(c1ccc2ccccc2c1[O-])N1CCN(c2cccc(Cl)c2)CC1	ZINC000032727008	570782996	/nfs/dbraw/zinc/78/29/96/570782996.db2.gz	VJRMHTYVVXLKFQ-UHFFFAOYSA-N	-1	1	366.848	4.161	50	0		FIAAMM
CCc1cc(=O)[n-]c(SCc2nc(-c3cccc(Cl)c3)oc2C)n1	ZINC000045924663	570915083	/nfs/dbraw/zinc/91/50/83/570915083.db2.gz	QASYUKOEYOUWOL-UHFFFAOYSA-N	-1	1	361.854	4.241	50	0		FIAAMM
CN(CCOc1cccc(Cl)c1)C(=O)c1cc2ccccc2cc1[O-]	ZINC000024188722	570972525	/nfs/dbraw/zinc/97/25/25/570972525.db2.gz	WPSITLKUBHNGRC-UHFFFAOYSA-N	-1	1	355.821	4.350	50	0		FIAAMM
CSc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2s1	ZINC000008864659	571063726	/nfs/dbraw/zinc/06/37/26/571063726.db2.gz	JEZORRSWWWVVOO-UHFFFAOYSA-N	-1	1	370.908	4.472	50	0		FIAAMM
O=C(c1ccc([O-])cc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21	ZINC000072332621	571123690	/nfs/dbraw/zinc/12/36/90/571123690.db2.gz	OSCKQCVENLJRRE-NZQKXSOJSA-N	-1	1	370.408	4.145	50	0		FIAAMM
Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)[nH]n2)cc1	ZINC000005827294	571166352	/nfs/dbraw/zinc/16/63/52/571166352.db2.gz	WOFPRADGMOBLLN-UHFFFAOYSA-N	-1	1	355.463	4.309	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)cc1	ZINC000012585221	571186726	/nfs/dbraw/zinc/18/67/26/571186726.db2.gz	UXXFBWSDNJJISL-UHFFFAOYSA-N	-1	1	373.503	4.006	50	0		FIAAMM
Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1Cl	ZINC000080053564	571218465	/nfs/dbraw/zinc/21/84/65/571218465.db2.gz	ASKSOVCLNZMARA-UHFFFAOYSA-N	-1	1	360.660	4.212	50	0		FIAAMM
O=C(OCc1coc(-c2ccccc2)n1)c1ccc(Br)c([O-])c1	ZINC000095432688	571329596	/nfs/dbraw/zinc/32/95/96/571329596.db2.gz	KFOTZSJDVUWWKV-UHFFFAOYSA-N	-1	1	374.190	4.167	50	0		FIAAMM
CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(C(F)(F)F)cc1	ZINC000095473410	571330786	/nfs/dbraw/zinc/33/07/86/571330786.db2.gz	PYRAQPIWKWVDOX-ZDUSSCGKSA-N	-1	1	371.384	4.200	50	0		FIAAMM
C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](C(=O)[O-])C1	ZINC000299741420	571338278	/nfs/dbraw/zinc/33/82/78/571338278.db2.gz	FTTYYUPYSAKUFE-DTWKUNHWSA-N	-1	1	355.278	4.192	50	0		FIAAMM
O=C(c1ncc2ccccc2c1[O-])N(CCC(F)(F)F)C1CCCC1	ZINC000888092825	1086749071	/nfs/dbraw/zinc/74/90/71/1086749071.db2.gz	IJJNOVBVMSWYDI-UHFFFAOYSA-N	-1	1	352.356	4.278	50	0		FIAAMM
Cc1cc2nc(-c3ccc(NC(=O)c4cccnc4)cc3[O-])oc2cc1C	ZINC000109573819	1102020332	/nfs/dbraw/zinc/02/03/32/1102020332.db2.gz	RLIKWDCZTGEHOE-UHFFFAOYSA-N	-1	1	359.385	4.465	50	0		FIAAMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000000713399	210264213	/nfs/dbraw/zinc/26/42/13/210264213.db2.gz	HKOUIPZCTZESCA-UHFFFAOYSA-N	-1	1	360.660	4.212	50	0		FIAAMM
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(Cl)cc2Cl)N1	ZINC000003910371	210229497	/nfs/dbraw/zinc/22/94/97/210229497.db2.gz	ZJDRIKAAFJMYGX-HOTGVXAUSA-N	-1	1	361.228	4.163	50	0	biogenic	FIAAMM
O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ncc(-c2ccc(Cl)cc2)o1	ZINC000294190849	210224994	/nfs/dbraw/zinc/22/49/94/210224994.db2.gz	GDYRZOUIQOTQNW-BMFZPTHFSA-N	-1	1	360.841	4.213	50	0		FIAAMM
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ncc(-c2ccc(Cl)cc2)o1	ZINC000294190859	210224253	/nfs/dbraw/zinc/22/42/53/210224253.db2.gz	GDYRZOUIQOTQNW-IMJJTQAJSA-N	-1	1	360.841	4.213	50	0		FIAAMM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1	ZINC000064837739	212045384	/nfs/dbraw/zinc/04/53/84/212045384.db2.gz	ATUYFGONMPPRCK-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000064837513	212045452	/nfs/dbraw/zinc/04/54/52/212045452.db2.gz	FGFOQQAHFWXTBJ-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
CN(Cc1cccc(Cl)c1)C(=O)c1cc(Br)ccc1[O-]	ZINC000012806814	220032544	/nfs/dbraw/zinc/03/25/44/220032544.db2.gz	OHZGKWZHCNYKDJ-UHFFFAOYSA-N	-1	1	354.631	4.080	50	0		FIAAMM
C[C@H](C(=O)Nc1ccc(F)c(F)c1)n1c(-c2cccs2)n[n-]c1=S	ZINC000058425046	212011325	/nfs/dbraw/zinc/01/13/25/212011325.db2.gz	HDIWEFIMJLMFLC-MRVPVSSYSA-N	-1	1	366.418	4.147	50	0		FIAAMM
CCc1cccc(NC(=O)[C@H](C)n2c(=S)[n-]nc2-c2cccs2)c1	ZINC000058430540	212010820	/nfs/dbraw/zinc/01/08/20/212010820.db2.gz	CNEQXLACQUYCDW-NSHDSACASA-N	-1	1	358.492	4.431	50	0		FIAAMM
Cc1c(CNCc2ccccc2F)c(C(=O)[O-])c(C)n1-c1ccccc1	ZINC000021025789	211303594	/nfs/dbraw/zinc/30/35/94/211303594.db2.gz	VVDUKXKVXSECKI-UHFFFAOYSA-N	-1	1	352.409	4.221	50	0		FIAAMM
Cc1cc2nc(Nc3nc(-c4ccccc4)cc(=O)[n-]3)nc(C)c2cc1C	ZINC000018045315	211189513	/nfs/dbraw/zinc/18/95/13/211189513.db2.gz	JHLNYNWRBVBDHC-UHFFFAOYSA-N	-1	1	357.417	4.049	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C)c(F)c2)cc1	ZINC000012988380	211015958	/nfs/dbraw/zinc/01/59/58/211015958.db2.gz	FBLOGSQFURFNGK-UHFFFAOYSA-N	-1	1	356.426	4.002	50	0		FIAAMM
Cc1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1N1CCCC1=O	ZINC000012936072	211010070	/nfs/dbraw/zinc/01/00/70/211010070.db2.gz	MQNAQIHQCLRLSQ-UHFFFAOYSA-N	-1	1	360.413	4.233	50	0		FIAAMM
COc1ccc2ncc(C(=O)[O-])c(Nc3ccc(N4CCCC4)cc3)c2c1	ZINC000019793863	220297023	/nfs/dbraw/zinc/29/70/23/220297023.db2.gz	BNDDOFVNSCJPMO-UHFFFAOYSA-N	-1	1	363.417	4.285	50	0		FIAAMM
CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1	ZINC000001148035	210326007	/nfs/dbraw/zinc/32/60/07/210326007.db2.gz	RLRMSKQKRNGRDN-UHFFFAOYSA-N	-1	1	368.296	4.448	50	0		FIAAMM
CCc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C(C)=O)c3c2)cc1	ZINC000001209896	210335546	/nfs/dbraw/zinc/33/55/46/210335546.db2.gz	LLGNBQSKUFSGNZ-UHFFFAOYSA-N	-1	1	357.431	4.307	50	0		FIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)cc1	ZINC000001087834	210314998	/nfs/dbraw/zinc/31/49/98/210314998.db2.gz	DHPZGURQFTUWTA-UHFFFAOYSA-N	-1	1	374.487	4.318	50	0		FIAAMM
CC(C)(C)c1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3)[nH]n2)cc1	ZINC000001037323	210304255	/nfs/dbraw/zinc/30/42/55/210304255.db2.gz	ZQAJZUFFEIASAM-UHFFFAOYSA-N	-1	1	355.463	4.175	50	0		FIAAMM
CCc1ccc(NC(=O)[C@H](C)n2c(=S)[n-]nc2-c2cccs2)cc1	ZINC000065492754	221225384	/nfs/dbraw/zinc/22/53/84/221225384.db2.gz	WBVSOEJLTFEGPO-NSHDSACASA-N	-1	1	358.492	4.431	50	0		FIAAMM
COc1cc([O-])c(CC=C(C)C)c2c1C(=O)C[C@H](c1ccc(O)cc1)O2	ZINC000002561287	560124092	/nfs/dbraw/zinc/12/40/92/560124092.db2.gz	YKGCBLWILMDSAV-GOSISDBHSA-N	-1	1	354.402	4.322	50	0	endogenous,in-man	FIAAMM
CCCCCn1c([O-])c(C(=O)Nc2cccc(C)c2)c(=O)c2ccccc21	ZINC000002589588	570525964	/nfs/dbraw/zinc/52/59/64/570525964.db2.gz	UQRNAIFCARDDOL-UHFFFAOYSA-N	-1	1	364.445	4.458	50	0		FIAAMM
CCOCCc1nnc([N-]C(=O)c2sc3ccccc3c2Cl)s1	ZINC000002875653	570541686	/nfs/dbraw/zinc/54/16/86/570541686.db2.gz	WCIDDBGPPNTBPT-UHFFFAOYSA-N	-1	1	367.883	4.238	50	0		FIAAMM
COc1ccccc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1	ZINC000004815461	570607951	/nfs/dbraw/zinc/60/79/51/570607951.db2.gz	HOJYLBNSMKMQAB-UHFFFAOYSA-N	-1	1	360.369	4.461	50	0	biogenic	FIAAMM
O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1cccs1	ZINC000005171673	570677346	/nfs/dbraw/zinc/67/73/46/570677346.db2.gz	ZHHFCLMYWSZYJL-UHFFFAOYSA-N	-1	1	368.439	4.070	50	0		FIAAMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2	ZINC000008715464	570685769	/nfs/dbraw/zinc/68/57/69/570685769.db2.gz	LOISFXZSWRJINC-UHFFFAOYSA-N	-1	1	372.833	4.168	50	0		FIAAMM
CCSc1nnc([N-]C(=O)c2csc(-c3ccsc3)n2)s1	ZINC000032768120	570796777	/nfs/dbraw/zinc/79/67/77/570796777.db2.gz	ZJPJRVQNQITDMC-UHFFFAOYSA-N	-1	1	354.507	4.087	50	0		FIAAMM
O=S(=O)([N-]c1ccc2ncccc2c1)c1cccc(C(F)(F)F)c1	ZINC000032933530	570873126	/nfs/dbraw/zinc/87/31/26/570873126.db2.gz	XCZDLNVJYGTOIU-UHFFFAOYSA-N	-1	1	352.337	4.054	50	0		FIAAMM
Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c(C)s1	ZINC000024070432	570971319	/nfs/dbraw/zinc/97/13/19/570971319.db2.gz	RCSOVLZVYIIRHZ-UHFFFAOYSA-N	-1	1	367.826	4.421	50	0		FIAAMM
Cc1ccc(CNCc2c(C)n(Cc3ccc(C)cc3)c(C)c2C(=O)[O-])o1	ZINC000008932714	571076249	/nfs/dbraw/zinc/07/62/49/571076249.db2.gz	HLEUWXVFPXSDSV-UHFFFAOYSA-N	-1	1	366.461	4.351	50	0		FIAAMM
CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@H](c2ccc3c(c2)OCO3)S1	ZINC000085411978	571113341	/nfs/dbraw/zinc/11/33/41/571113341.db2.gz	PFHJTRFTPKVTLI-KRWDZBQOSA-N	-1	1	371.462	4.296	50	0		FIAAMM
C[C@@H]1CCc2sc3ncn4c(nnc4-c4cc(Cl)ccc4[O-])c3c2C1	ZINC000009576942	571113746	/nfs/dbraw/zinc/11/37/46/571113746.db2.gz	ANZPYGJBWREVLK-SECBINFHSA-N	-1	1	370.865	4.490	50	0		FIAAMM
O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1[O-]	ZINC000012816586	571115731	/nfs/dbraw/zinc/11/57/31/571115731.db2.gz	WGUSJVYCKDBTDQ-UHFFFAOYSA-N	-1	1	362.433	4.020	50	0		FIAAMM
CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)sc2C)c1C	ZINC000058161796	571126402	/nfs/dbraw/zinc/12/64/02/571126402.db2.gz	PSIHIWCMXSSGFD-UHFFFAOYSA-N	-1	1	366.508	4.213	50	0		FIAAMM
Cc1nc(NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)sc1C	ZINC000012614297	571191205	/nfs/dbraw/zinc/19/12/05/571191205.db2.gz	XUTKZRXMESQZGC-UHFFFAOYSA-N	-1	1	373.507	4.018	50	0		FIAAMM
CCSc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1	ZINC000033298837	571231033	/nfs/dbraw/zinc/23/10/33/571231033.db2.gz	NAKMDCUEYLCRCP-UHFFFAOYSA-N	-1	1	350.490	4.209	50	0		FIAAMM
CCSc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2s1	ZINC000033298834	571231060	/nfs/dbraw/zinc/23/10/60/571231060.db2.gz	FTADAWUPBHBZRN-UHFFFAOYSA-N	-1	1	368.480	4.348	50	0		FIAAMM
CSc1nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2s1	ZINC000033298810	571231072	/nfs/dbraw/zinc/23/10/72/571231072.db2.gz	SWARAYKQWVJVBE-UHFFFAOYSA-N	-1	1	364.517	4.436	50	0		FIAAMM
Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2)on1	ZINC000007005342	571256889	/nfs/dbraw/zinc/25/68/89/571256889.db2.gz	AIIHWMPTQHVEMV-UHFFFAOYSA-N	-1	1	364.373	4.037	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4ccccc4n3)c2)cc1	ZINC000003120974	571344972	/nfs/dbraw/zinc/34/49/72/571344972.db2.gz	MPQVQJMAHNSWGW-UHFFFAOYSA-N	-1	1	363.442	4.111	50	0		FIAAMM
C[C@H]1CCc2c(sc([N-]c3nc4ccc(F)cc4s3)c2C(N)=O)C1	ZINC000004137780	571355975	/nfs/dbraw/zinc/35/59/75/571355975.db2.gz	FXKHCEPUGXTTCI-QMMMGPOBSA-N	-1	1	361.467	4.464	50	0		FIAAMM
O=C([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1	ZINC000183931377	1090438410	/nfs/dbraw/zinc/43/84/10/1090438410.db2.gz	WQTMAZRXOFYBSM-MRXNPFEDSA-N	-1	1	368.458	4.210	50	0		FIAAMM
O=C([O-])c1ccccc1OCCN1CCC[C@@H]1c1nc2ccccc2s1	ZINC000183931377	1090438415	/nfs/dbraw/zinc/43/84/15/1090438415.db2.gz	WQTMAZRXOFYBSM-MRXNPFEDSA-N	-1	1	368.458	4.210	50	0		FIAAMM
O=C([N-]c1nnc(C2CCCCC2)s1)c1ccc(Br)o1	ZINC000001284943	219393969	/nfs/dbraw/zinc/39/39/69/219393969.db2.gz	SWYYWUNGBDZFBK-UHFFFAOYSA-N	-1	1	356.245	4.194	50	0		FIAAMM
Cc1cc(F)ccc1NC(=O)[C@H](C)n1c(-c2cccs2)n[n-]c1=S	ZINC000064334640	212037036	/nfs/dbraw/zinc/03/70/36/212037036.db2.gz	BYXWTNLXEGNSII-JTQLQIEISA-N	-1	1	362.455	4.316	50	0		FIAAMM
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(C)=O)c2)cc1	ZINC000023054866	211375454	/nfs/dbraw/zinc/37/54/54/211375454.db2.gz	XFIBNWAMGQBIKJ-GFCCVEGCSA-N	-1	1	364.442	4.098	50	0		FIAAMM
Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)o1	ZINC000021032045	211304131	/nfs/dbraw/zinc/30/41/31/211304131.db2.gz	UDGPLESMBFMSTL-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)o1	ZINC000021032440	211303676	/nfs/dbraw/zinc/30/36/76/211303676.db2.gz	PUGKKJSLUCVFAO-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2)o1	ZINC000021032841	211302370	/nfs/dbraw/zinc/30/23/70/211302370.db2.gz	BLSGQMOBGYCBPU-UHFFFAOYSA-N	-1	1	364.373	4.037	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)s2)on1	ZINC000020978369	211300964	/nfs/dbraw/zinc/30/09/64/211300964.db2.gz	DYBUBEBMCHWMAL-UHFFFAOYSA-N	-1	1	368.867	4.474	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)s2)on1	ZINC000020978455	211300831	/nfs/dbraw/zinc/30/08/31/211300831.db2.gz	JRHCWHYRLJMXTH-UHFFFAOYSA-N	-1	1	354.840	4.166	50	0		FIAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)Nc1ccc(C(C)(C)C)cc1	ZINC000013723032	211052003	/nfs/dbraw/zinc/05/20/03/211052003.db2.gz	ZYLNXXOSKLAZFR-UHFFFAOYSA-N	-1	1	365.429	4.286	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2C)c1	ZINC000012907242	211005394	/nfs/dbraw/zinc/00/53/94/211005394.db2.gz	SLYADPFKHLKAJA-UHFFFAOYSA-N	-1	1	352.463	4.253	50	0		FIAAMM
CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000004618281	210545746	/nfs/dbraw/zinc/54/57/46/210545746.db2.gz	NTBOCDJRFRTTPQ-UHFFFAOYSA-N	-1	1	354.269	4.373	50	0		FIAAMM
O=C(Oc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)C1CCCCC1	ZINC000001445858	210355136	/nfs/dbraw/zinc/35/51/36/210355136.db2.gz	ZGLWLHWCAPJMLZ-UHFFFAOYSA-N	-1	1	370.289	4.485	50	0		FIAAMM
O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cccc(C(F)(F)F)c1	ZINC000001226880	210337216	/nfs/dbraw/zinc/33/72/16/210337216.db2.gz	ZRGCVDVXZAMOOU-UHFFFAOYSA-N	-1	1	353.724	4.299	50	0		FIAAMM
C[C@H]1CCc2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3oc2C1	ZINC000001221211	210336816	/nfs/dbraw/zinc/33/68/16/210336816.db2.gz	CBWQGJPKJLQHQG-LBPRGKRZSA-N	-1	1	359.422	4.498	50	0		FIAAMM
CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1	ZINC000001063923	210310752	/nfs/dbraw/zinc/31/07/52/210310752.db2.gz	BHDNMUPGRMPZSO-UHFFFAOYSA-N	-1	1	372.309	4.280	50	0		FIAAMM
O=c1[n-]c(-c2ccc(F)cc2)nc2c1sc(=S)n2Cc1ccccc1	ZINC000001080154	210315382	/nfs/dbraw/zinc/31/53/82/210315382.db2.gz	ODQMNIPYPPZZGN-UHFFFAOYSA-N	-1	1	369.446	4.370	50	0		FIAAMM
Cc1ccc(F)c(NC(=O)[C@H](C)n2c(-c3cccs3)n[n-]c2=S)c1	ZINC000065503709	221228958	/nfs/dbraw/zinc/22/89/58/221228958.db2.gz	SBHJVZUXSMDOBR-JTQLQIEISA-N	-1	1	362.455	4.316	50	0		FIAAMM
CCN(CC)Cc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)ccc1OC	ZINC000096765867	222129420	/nfs/dbraw/zinc/12/94/20/222129420.db2.gz	ZPQODFHUVJMVRV-WQLSENKSSA-N	-1	1	367.445	4.131	50	0		FIAAMM
CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1	ZINC000095526040	570468217	/nfs/dbraw/zinc/46/82/17/570468217.db2.gz	JJFBUZINBHFTEW-CQSZACIVSA-N	-1	1	361.873	4.062	50	0		FIAAMM
O=S(=O)([N-]c1ccc(Br)c(Cl)c1)c1ccc(F)cc1	ZINC000002857075	570538342	/nfs/dbraw/zinc/53/83/42/570538342.db2.gz	OYKSNLWWVLQTDB-UHFFFAOYSA-N	-1	1	364.623	4.042	50	0		FIAAMM
Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccccc2C)cn1	ZINC000034840410	570557047	/nfs/dbraw/zinc/55/70/47/570557047.db2.gz	YBBDWKZGUYYDOG-UHFFFAOYSA-N	-1	1	354.431	4.292	50	0		FIAAMM
Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1	ZINC000005184768	570629861	/nfs/dbraw/zinc/62/98/61/570629861.db2.gz	JJDTWPJKOMVABN-UHFFFAOYSA-N	-1	1	366.442	4.048	50	0		FIAAMM
CCOc1ccc(-c2ncncc2Oc2ccccc2OCC)c([O-])c1	ZINC000005573085	570676994	/nfs/dbraw/zinc/67/69/94/570676994.db2.gz	FBCYFTTVJBOJPJ-UHFFFAOYSA-N	-1	1	352.390	4.439	50	0		FIAAMM
O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc4ccccc4c3)c3cccc1c23	ZINC000008716695	570685796	/nfs/dbraw/zinc/68/57/96/570685796.db2.gz	KJWLMQJQVXCHKM-UHFFFAOYSA-N	-1	1	374.421	4.360	50	0		FIAAMM
Cc1ccc(-c2cc(=O)[n-]c(Nc3nc(C)c4cc(C)ccc4n3)n2)cc1	ZINC000009426304	570695815	/nfs/dbraw/zinc/69/58/15/570695815.db2.gz	FISYIMFRFQIEIS-UHFFFAOYSA-N	-1	1	357.417	4.049	50	0		FIAAMM
C[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1)c1ccccc1	ZINC000012401937	570742141	/nfs/dbraw/zinc/74/21/41/570742141.db2.gz	VZYBDFXCRNASIG-OAHLLOKOSA-N	-1	1	360.413	4.136	50	0		FIAAMM
COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000024067518	570971382	/nfs/dbraw/zinc/97/13/82/570971382.db2.gz	FKBJZHFXMCSZEI-UHFFFAOYSA-N	-1	1	363.866	4.386	50	0		FIAAMM
Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c(C)s1	ZINC000024432608	570975691	/nfs/dbraw/zinc/97/56/91/570975691.db2.gz	PSJAMSXXVKSQIN-UHFFFAOYSA-N	-1	1	366.508	4.150	50	0		FIAAMM
Cc1c(CNCc2ccco2)c(C(=O)[O-])c(C)n1Cc1ccc(C)cc1	ZINC000009746601	571118665	/nfs/dbraw/zinc/11/86/65/571118665.db2.gz	XUGFTZYAYGJBJO-UHFFFAOYSA-N	-1	1	352.434	4.043	50	0		FIAAMM
CCc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)no1	ZINC000033086467	571154886	/nfs/dbraw/zinc/15/48/86/571154886.db2.gz	FFPZDGYBTLMJQR-UHFFFAOYSA-N	-1	1	371.462	4.025	50	0		FIAAMM
Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C	ZINC000075436448	571178570	/nfs/dbraw/zinc/17/85/70/571178570.db2.gz	NUYMYOVTVTVELU-UHFFFAOYSA-N	-1	1	362.476	4.438	50	0		FIAAMM
O=S(=O)([N-]c1ccccc1F)c1cc(C(F)(F)F)ccc1Cl	ZINC000003368427	571182189	/nfs/dbraw/zinc/18/21/89/571182189.db2.gz	BHMKUXAWXHFXGR-UHFFFAOYSA-N	-1	1	353.724	4.299	50	0		FIAAMM
O=S(=O)([N-]c1cccc2c(O)cccc12)c1cccc(C(F)(F)F)c1	ZINC000003329051	571347486	/nfs/dbraw/zinc/34/74/86/571347486.db2.gz	WSAMPELZRMXWKJ-UHFFFAOYSA-N	-1	1	367.348	4.365	50	0		FIAAMM
Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(CC(C)(C)C)s1	ZINC000000792745	219321760	/nfs/dbraw/zinc/32/17/60/219321760.db2.gz	PAXLDTWHQMKARW-UHFFFAOYSA-N	-1	1	356.451	4.342	50	0		FIAAMM
CC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc21	ZINC000000844102	219329803	/nfs/dbraw/zinc/32/98/03/219329803.db2.gz	JNJALWPIMXCUCM-UHFFFAOYSA-N	-1	1	357.431	4.361	50	0		FIAAMM
O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1ccc(F)cc1	ZINC000001019633	219353992	/nfs/dbraw/zinc/35/39/92/219353992.db2.gz	RXKIWPKNCKHTKV-UHFFFAOYSA-N	-1	1	373.434	4.003	50	0		FIAAMM
CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2ccco2)c1	ZINC000001180961	219385786	/nfs/dbraw/zinc/38/57/86/219385786.db2.gz	JNVFGVQOBRVHHW-UHFFFAOYSA-N	-1	1	352.843	4.063	50	0		FIAAMM
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ncc(-c2cccc(Cl)c2)o1	ZINC000299745381	223079208	/nfs/dbraw/zinc/07/92/08/223079208.db2.gz	YMDPFTKFDSNDKI-MAZHCROVSA-N	-1	1	360.841	4.213	50	0		FIAAMM
Cc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1C	ZINC000020580485	220334536	/nfs/dbraw/zinc/33/45/36/220334536.db2.gz	UEVNATGIJIHJHS-UHFFFAOYSA-N	-1	1	360.410	4.207	50	0		FIAAMM
Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)on1	ZINC000020580220	220335163	/nfs/dbraw/zinc/33/51/63/220335163.db2.gz	BFBNEUDNGSORDP-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cc(Cl)sc1Cl	ZINC000020627207	220337915	/nfs/dbraw/zinc/33/79/15/220337915.db2.gz	CPJNRWRLCUMMBM-UHFFFAOYSA-N	-1	1	362.181	4.273	50	0		FIAAMM
CCc1cccc([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)c1	ZINC000021032768	220349757	/nfs/dbraw/zinc/34/97/57/220349757.db2.gz	PSNVGTMIKMGYAN-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
C[C@@H](C(=O)Nc1ccc(F)cc1F)n1c(-c2cccs2)n[n-]c1=S	ZINC000064334442	221146878	/nfs/dbraw/zinc/14/68/78/221146878.db2.gz	OBSKDLMLNXUWID-QMMMGPOBSA-N	-1	1	366.418	4.147	50	0		FIAAMM
O=C([O-])c1ccc(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)cc1	ZINC000067886116	221301389	/nfs/dbraw/zinc/30/13/89/221301389.db2.gz	IXJRLNRVANMXLO-UHFFFAOYSA-N	-1	1	368.820	4.252	50	0		FIAAMM
CCc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1	ZINC000020580279	521771250	/nfs/dbraw/zinc/77/12/50/521771250.db2.gz	JYBQNHMPRCAFFL-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
O=C([N-]c1c(F)cc(F)cc1Br)c1cc(-c2ccco2)on1	ZINC000003960184	570572275	/nfs/dbraw/zinc/57/22/75/570572275.db2.gz	XQUMECSCHHNHHN-UHFFFAOYSA-N	-1	1	369.121	4.228	50	0	aggregator	FIAAMM
CCn1c(=S)[n-]nc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1	ZINC000004699115	570601755	/nfs/dbraw/zinc/60/17/55/570601755.db2.gz	YRQTZBIBMOHZRX-ZDUSSCGKSA-N	-1	1	352.891	4.131	50	0		FIAAMM
Cc1cc(C)c([N-]S(=O)(=O)c2cccc(Br)c2)c(C)c1	ZINC000006919648	570656871	/nfs/dbraw/zinc/65/68/71/570656871.db2.gz	SNGPJKXUGFHEDA-UHFFFAOYSA-N	-1	1	354.269	4.175	50	0		FIAAMM
CCOc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1OC(F)F	ZINC000002790120	570672098	/nfs/dbraw/zinc/67/20/98/570672098.db2.gz	JBBIXJQYSHVWRS-UHFFFAOYSA-N	-1	1	371.405	4.104	50	0		FIAAMM
CCCCCc1c(C)nc(Nc2nc(C)c3ccc(CC)cc3n2)[n-]c1=O	ZINC000009190043	570692326	/nfs/dbraw/zinc/69/23/26/570692326.db2.gz	NHDPTRFOXXCYFN-UHFFFAOYSA-N	-1	1	365.481	4.369	50	0		FIAAMM
C[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1)c1ccccc1	ZINC000012401936	570742219	/nfs/dbraw/zinc/74/22/19/570742219.db2.gz	VZYBDFXCRNASIG-HNNXBMFYSA-N	-1	1	360.413	4.136	50	0		FIAAMM
CCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccnc(C)n3)cc2)cc1	ZINC000032818940	570813444	/nfs/dbraw/zinc/81/34/44/570813444.db2.gz	UCSTVWYENBXUBZ-UHFFFAOYSA-N	-1	1	367.474	4.205	50	0		FIAAMM
Cc1nnc(SC(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)[O-])[nH]1	ZINC000005721344	570861885	/nfs/dbraw/zinc/86/18/85/570861885.db2.gz	SCCRZMVZZYUUKD-RIYZIHGNSA-N	-1	1	361.810	4.244	50	0		FIAAMM
Cc1nc(SC(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)[O-])n[nH]1	ZINC000005721344	570861889	/nfs/dbraw/zinc/86/18/89/570861889.db2.gz	SCCRZMVZZYUUKD-RIYZIHGNSA-N	-1	1	361.810	4.244	50	0		FIAAMM
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc2ccccc2cc1[O-]	ZINC000010677890	570913475	/nfs/dbraw/zinc/91/34/75/570913475.db2.gz	IORSRXQYDQJBAV-UHFFFAOYSA-N	-1	1	357.413	4.003	50	0		FIAAMM
CCCCOC(=O)c1cccc(Nc2nc(-c3ccccc3)cc(=O)[n-]2)c1	ZINC000008844080	571062858	/nfs/dbraw/zinc/06/28/58/571062858.db2.gz	FLPWMLNIBOPZHP-UHFFFAOYSA-N	-1	1	363.417	4.137	50	0		FIAAMM
Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)on1	ZINC000012422371	571098355	/nfs/dbraw/zinc/09/83/55/571098355.db2.gz	RYCBLRVTSUVEAC-UHFFFAOYSA-N	-1	1	351.387	4.218	50	0		FIAAMM
Cc1nnc(SC(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)[O-])[nH]1	ZINC000009360274	571106185	/nfs/dbraw/zinc/10/61/85/571106185.db2.gz	INSAVBKVMGKBDP-ZSOIEALJSA-N	-1	1	361.810	4.244	50	0		FIAAMM
Cc1nc(SC(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)[O-])n[nH]1	ZINC000009360274	571106188	/nfs/dbraw/zinc/10/61/88/571106188.db2.gz	INSAVBKVMGKBDP-ZSOIEALJSA-N	-1	1	361.810	4.244	50	0		FIAAMM
Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cc2ccncc2)cc1	ZINC000057351145	571122325	/nfs/dbraw/zinc/12/23/25/571122325.db2.gz	NIXIGLPXZOCRJK-UHFFFAOYSA-N	-1	1	372.877	4.435	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(Cl)cc2)cc1	ZINC000058391503	571131966	/nfs/dbraw/zinc/13/19/66/571131966.db2.gz	WMVKJNUGOZVFMV-UHFFFAOYSA-N	-1	1	358.854	4.208	50	0		FIAAMM
CCc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)no1	ZINC000033086470	571154918	/nfs/dbraw/zinc/15/49/18/571154918.db2.gz	WZSWBWJERIQNJD-UHFFFAOYSA-N	-1	1	371.462	4.025	50	0		FIAAMM
CCOc1cc(C)c(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1C	ZINC000072414285	571158930	/nfs/dbraw/zinc/15/89/30/571158930.db2.gz	ACDBNFDDYMOPMN-UHFFFAOYSA-N	-1	1	356.447	4.051	50	0		FIAAMM
Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O	ZINC000333680787	571175518	/nfs/dbraw/zinc/17/55/18/571175518.db2.gz	LFJMBARPLCDKGW-UHFFFAOYSA-N	-1	1	357.475	4.438	50	0		FIAAMM
C[C@H](c1ccc(-c2cncc3sc(C(=O)[O-])cc32)cc1)N1CCOCC1	ZINC000534574433	571204613	/nfs/dbraw/zinc/20/46/13/571204613.db2.gz	AMXZCILIVDHRMA-CYBMUJFWSA-N	-1	1	368.458	4.055	50	0		FIAAMM
O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1c(F)cccc1F	ZINC000004072466	571210619	/nfs/dbraw/zinc/21/06/19/571210619.db2.gz	YSFPDARVNXQRSB-UHFFFAOYSA-N	-1	1	351.765	4.389	50	0		FIAAMM
CC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)cc21	ZINC000004735827	571227278	/nfs/dbraw/zinc/22/72/78/571227278.db2.gz	KPJGFFOMAYSYGL-UHFFFAOYSA-N	-1	1	357.431	4.361	50	0		FIAAMM
Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2CNCc1ccccc1Br	ZINC000006894437	571253802	/nfs/dbraw/zinc/25/38/02/571253802.db2.gz	RCWPMUXJDKSDDM-UHFFFAOYSA-N	-1	1	373.250	4.227	50	0		FIAAMM
CC1=Nc2c(c(=O)[n-]n2C2CCOCC2)[C@@H](c2cccc(Cl)c2)S1	ZINC000095475871	571330883	/nfs/dbraw/zinc/33/08/83/571330883.db2.gz	VXBPRNYBSCYURF-OAHLLOKOSA-N	-1	1	363.870	4.480	50	0		FIAAMM
COc1c(C)ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C	ZINC000031722653	571353440	/nfs/dbraw/zinc/35/34/40/571353440.db2.gz	VEWITCYCZCUPQZ-UHFFFAOYSA-N	-1	1	360.262	4.420	50	0		FIAAMM
Cc1cc2cc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc2[nH]1	ZINC000031721903	571353474	/nfs/dbraw/zinc/35/34/74/571353474.db2.gz	ADGXELAPTQVSNO-UHFFFAOYSA-N	-1	1	370.352	4.176	50	0		FIAAMM
O=C([N-]c1nnc(-c2ccc3c(c2)CCCC3)o1)c1c(F)cccc1F	ZINC000004107392	571355334	/nfs/dbraw/zinc/35/53/34/571355334.db2.gz	OOSXJRTZMCAXPR-UHFFFAOYSA-N	-1	1	355.344	4.146	50	0		FIAAMM
CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1Cl	ZINC000005823020	1094276928	/nfs/dbraw/zinc/27/69/28/1094276928.db2.gz	SKSPRTZLPYSUCS-ZDUSSCGKSA-N	-1	1	372.277	4.488	50	0		FIAAMM
Cc1ccc(C(=O)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1	ZINC000000670305	219311328	/nfs/dbraw/zinc/31/13/28/219311328.db2.gz	DVSGSFFZXAEQGO-UHFFFAOYSA-N	-1	1	367.426	4.015	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4ccsc4n3)c2)cc1	ZINC000001019635	219353807	/nfs/dbraw/zinc/35/38/07/219353807.db2.gz	XQZQWLGTSKZEBY-UHFFFAOYSA-N	-1	1	369.471	4.172	50	0	aggregator	FIAAMM
CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1	ZINC000001141623	219379068	/nfs/dbraw/zinc/37/90/68/219379068.db2.gz	LMTNSOKPVQGKEM-UHFFFAOYSA-N	-1	1	368.296	4.448	50	0		FIAAMM
CCOc1ccccc1-c1nc2c(c(=O)[n-]1)Cc1cccc(OCC)c1O2	ZINC000006748531	219765815	/nfs/dbraw/zinc/76/58/15/219765815.db2.gz	IWCPOUKXIMSQAR-UHFFFAOYSA-N	-1	1	364.401	4.343	50	0		FIAAMM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1	ZINC000012526416	220003464	/nfs/dbraw/zinc/00/34/64/220003464.db2.gz	NKYLJJJLLFQFOE-UHFFFAOYSA-N	-1	1	372.490	4.133	50	0		FIAAMM
CSc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)c1	ZINC000012863665	220037174	/nfs/dbraw/zinc/03/71/74/220037174.db2.gz	NQGOBRFVWMCSCX-UHFFFAOYSA-N	-1	1	370.503	4.277	50	0		FIAAMM
CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)C)cc2)cc1	ZINC000014256725	220120936	/nfs/dbraw/zinc/12/09/36/220120936.db2.gz	LESSMPVVPAHLOH-UHFFFAOYSA-N	-1	1	361.463	4.005	50	0		FIAAMM
O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1cccc2cccnc21	ZINC000014254870	220121064	/nfs/dbraw/zinc/12/10/64/220121064.db2.gz	MFAFMXPTVWRMKO-UHFFFAOYSA-N	-1	1	370.327	4.194	50	0		FIAAMM
Cc1cc(C)cc(OCCOc2ccc(C=C3SC(=O)[N-]C3=O)cc2)c1	ZINC000015800314	220165265	/nfs/dbraw/zinc/16/52/65/220165265.db2.gz	XMGUILLXHUMPAP-PDGQHHTCSA-N	-1	1	369.442	4.085	50	0		FIAAMM
Cc1ccc(C)c(OCCOc2ccc(C=C3SC(=O)[N-]C3=O)cc2)c1	ZINC000015800704	220165294	/nfs/dbraw/zinc/16/52/94/220165294.db2.gz	MCZUJESYAMOSSO-PDGQHHTCSA-N	-1	1	369.442	4.085	50	0		FIAAMM
Cc1[nH]c2nn(-c3ccccc3)c(=O)c-2c([O-])c1Cc1ccc(C(C)C)cc1	ZINC000018222476	220229921	/nfs/dbraw/zinc/22/99/21/220229921.db2.gz	XVEYWTBQFMTGAM-UHFFFAOYSA-N	-1	1	373.456	4.030	50	0		FIAAMM
CCc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1	ZINC000020580109	220335577	/nfs/dbraw/zinc/33/55/77/220335577.db2.gz	XFSJKIIJZFWOEP-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c([O-])c1	ZINC000021205556	220354924	/nfs/dbraw/zinc/35/49/24/220354924.db2.gz	DBUYOPHMWKTIJF-UHFFFAOYSA-N	-1	1	355.390	4.085	50	0		FIAAMM
Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)[N-]c1nnc(C2CC2)s1	ZINC000021293890	220356803	/nfs/dbraw/zinc/35/68/03/220356803.db2.gz	PVUJGFVOAVMAEF-UHFFFAOYSA-N	-1	1	360.826	4.285	50	0		FIAAMM
O=C1C[C@H](c2ccc([O-])c(Cl)c2)c2cnn(Cc3ccccc3)c2N1	ZINC000049549044	221024464	/nfs/dbraw/zinc/02/44/64/221024464.db2.gz	UIUJFUILLXGELT-CQSZACIVSA-N	-1	1	353.809	4.414	50	0		FIAAMM
Cc1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[n-]c2=S)cc1C	ZINC000058421719	221118717	/nfs/dbraw/zinc/11/87/17/221118717.db2.gz	QDGAHJHIMVOSMD-LBPRGKRZSA-N	-1	1	358.492	4.486	50	0		FIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1C	ZINC000095067967	570451211	/nfs/dbraw/zinc/45/12/11/570451211.db2.gz	SVZNFLJPRFRMJA-UHFFFAOYSA-N	-1	1	358.232	4.006	50	0		FIAAMM
C[C@@H]1CCc2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3oc2C1	ZINC000001221316	570495326	/nfs/dbraw/zinc/49/53/26/570495326.db2.gz	CBWQGJPKJLQHQG-GFCCVEGCSA-N	-1	1	359.422	4.498	50	0		FIAAMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000005127075	570621530	/nfs/dbraw/zinc/62/15/30/570621530.db2.gz	SAZMSIGWHWNHKN-UHFFFAOYSA-N	-1	1	360.660	4.212	50	0		FIAAMM
CCCc1nc(-c2ccccn2)[n-]c(=O)c1Cc1c(F)cccc1Cl	ZINC000005176569	570621849	/nfs/dbraw/zinc/62/18/49/570621849.db2.gz	CZVFPJNVOKGQQJ-UHFFFAOYSA-N	-1	1	357.816	4.168	50	0		FIAAMM
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Br	ZINC000005260111	570641087	/nfs/dbraw/zinc/64/10/87/570641087.db2.gz	JOSDOWCCTRZNIQ-UHFFFAOYSA-N	-1	1	360.660	4.212	50	0		FIAAMM
CC(C)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000006213390	570643318	/nfs/dbraw/zinc/64/33/18/570643318.db2.gz	FFEBELPXYIEKTA-UHFFFAOYSA-N	-1	1	366.870	4.125	50	0		FIAAMM
O=S(=O)([N-][C@H](c1cccs1)C1CC1)c1c(Cl)cccc1Cl	ZINC000010683158	570919884	/nfs/dbraw/zinc/91/98/84/570919884.db2.gz	KRYARFXJUKFJCP-ZDUSSCGKSA-N	-1	1	362.303	4.485	50	0		FIAAMM
O=C1[N-]C(=O)C(=Cc2ccc(OCc3c(F)cccc3Cl)cc2)S1	ZINC000001405708	571062175	/nfs/dbraw/zinc/06/21/75/571062175.db2.gz	YMDOMNLQXYIDMQ-OVCLIPMQSA-N	-1	1	363.797	4.382	50	0		FIAAMM
NC(=O)c1cc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)ccc1[O-]	ZINC000063630905	571118437	/nfs/dbraw/zinc/11/84/37/571118437.db2.gz	MXKNTZQHAGZTLV-UHFFFAOYSA-N	-1	1	364.348	4.300	50	0		FIAAMM
COc1ccc([C@@H]2CCCCCN2Cc2nc(=O)c3sccc3[n-]2)cc1	ZINC000035399943	571168361	/nfs/dbraw/zinc/16/83/61/571168361.db2.gz	MZHVEWCBWWNJKQ-KRWDZBQOSA-N	-1	1	369.490	4.111	50	0		FIAAMM
Cc1oc(-c2ccc(OC(C)C)cc2)nc1CSc1nc(C)cc(=O)[n-]1	ZINC000035480783	571174607	/nfs/dbraw/zinc/17/46/07/571174607.db2.gz	IYROJBXPGWNPBH-UHFFFAOYSA-N	-1	1	371.462	4.121	50	0		FIAAMM
CCCOc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1C	ZINC000072414306	571192373	/nfs/dbraw/zinc/19/23/73/571192373.db2.gz	GMAZCJLIWFREKE-UHFFFAOYSA-N	-1	1	356.447	4.133	50	0		FIAAMM
O=S(=O)([N-]c1ccc(-c2noc(C3CCCC3)n2)cc1)c1ccccc1	ZINC000033276403	571227605	/nfs/dbraw/zinc/22/76/05/571227605.db2.gz	HUVQBWCYKUFFSK-UHFFFAOYSA-N	-1	1	369.446	4.195	50	0		FIAAMM
O=c1[n-]c(-c2cccc(O)c2)nc2c1Cc1cc(Br)ccc1O2	ZINC000006748433	571244671	/nfs/dbraw/zinc/24/46/71/571244671.db2.gz	DCCXUYYXCBEXMK-UHFFFAOYSA-N	-1	1	371.190	4.014	50	0		FIAAMM
O=C([O-])c1c(CNCc2ccccn2)c2ccccc2n1Cc1ccccc1	ZINC000006803231	571247287	/nfs/dbraw/zinc/24/72/87/571247287.db2.gz	OIHYRZKBRNHTGS-UHFFFAOYSA-N	-1	1	371.440	4.073	50	0		FIAAMM
CCc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3	ZINC000006929530	571254902	/nfs/dbraw/zinc/25/49/02/571254902.db2.gz	NBPMYQIXBQEGQV-UHFFFAOYSA-N	-1	1	354.475	4.410	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)on1	ZINC000006941854	571255357	/nfs/dbraw/zinc/25/53/57/571255357.db2.gz	HQHQYXUDSLESHR-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)-c2ccccc2C3)cc1	ZINC000007420842	571265369	/nfs/dbraw/zinc/26/53/69/571265369.db2.gz	YCYJKQQNPHBGML-UHFFFAOYSA-N	-1	1	363.438	4.261	50	0		FIAAMM
O=C([O-])[C@H]1C[C@@H]1c1ccc(-c2[nH]cnc2Sc2ccc(Cl)cn2)cc1	ZINC000168250950	571309393	/nfs/dbraw/zinc/30/93/93/571309393.db2.gz	PYJXAALBQJUIHA-KGLIPLIRSA-N	-1	1	371.849	4.464	50	0		FIAAMM
Cc1cc2nc(-c3ccc(NC(=O)c4cccnc4)cc3[O-])oc2c(C)c1	ZINC000022145850	1081407292	/nfs/dbraw/zinc/40/72/92/1081407292.db2.gz	FQUHFDXXKJBVSI-UHFFFAOYSA-N	-1	1	359.385	4.465	50	0		FIAAMM
O=C1[N-]C(=S)SC1=Cc1cccc(C=C2SC(=S)NC2=O)c1	ZINC000033368314	1122395464	/nfs/dbraw/zinc/39/54/64/1122395464.db2.gz	AYGXCXUMHDVVJU-NXZHAISVSA-N	-1	1	364.498	4.345	50	0		FIAAMM
O=C(Nc1ccc(F)cc1)Nc1ccc(NC(=O)c2ccccc2[O-])cc1	ZINC000001033842	219355181	/nfs/dbraw/zinc/35/51/81/219355181.db2.gz	UNVMMKGJWKDZGQ-UHFFFAOYSA-N	-1	1	365.364	4.428	50	0		FIAAMM
O=S(=O)([N-]CCc1ccc(Cl)cc1)c1cc(Cl)sc1Cl	ZINC000001049018	219359011	/nfs/dbraw/zinc/35/90/11/219359011.db2.gz	SKRUORJWAGWEMI-UHFFFAOYSA-N	-1	1	370.710	4.229	50	0		FIAAMM
O=C(CC([O-])(C(F)(F)F)C(F)(F)F)Nc1cccc2ccccc21	ZINC000001125764	219375396	/nfs/dbraw/zinc/37/53/96/219375396.db2.gz	RZLMDMGLJHUNPZ-UHFFFAOYSA-N	-1	1	351.246	4.024	50	0		FIAAMM
O=c1[n-]c(-c2ccccc2)nc2c1Cc1cc(Br)ccc1O2	ZINC000006748428	219766380	/nfs/dbraw/zinc/76/63/80/219766380.db2.gz	DDZQYZMZZJQPHK-UHFFFAOYSA-N	-1	1	355.191	4.308	50	0		FIAAMM
Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1	ZINC000012527667	220003084	/nfs/dbraw/zinc/00/30/84/220003084.db2.gz	ISVJAHLARIUUPD-UHFFFAOYSA-N	-1	1	350.802	4.137	50	0		FIAAMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1	ZINC000012525889	220003400	/nfs/dbraw/zinc/00/34/00/220003400.db2.gz	KPVWGFCOBVZSIQ-UHFFFAOYSA-N	-1	1	359.447	4.011	50	0		FIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C)c(C)c2)c1	ZINC000012923322	220042827	/nfs/dbraw/zinc/04/28/27/220042827.db2.gz	ZVULOADTDKACAX-UHFFFAOYSA-N	-1	1	352.463	4.172	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)cc1	ZINC000013490631	220070028	/nfs/dbraw/zinc/07/00/28/220070028.db2.gz	KUPMOHKLVMMYFP-UHFFFAOYSA-N	-1	1	351.427	4.027	50	0		FIAAMM
NC(=O)c1cc2ccc([O-])cc2o/c1=N\c1ccc(-c2ccccc2)cc1	ZINC000013896407	220098697	/nfs/dbraw/zinc/09/86/97/220098697.db2.gz	FQRDRENJOVGAIA-GYHWCHFESA-N	-1	1	356.381	4.137	50	0		FIAAMM
Cc1ccc(-c2nnc(SCc3cc(=O)oc4cc([O-])ccc34)o2)cc1	ZINC000014095325	220106089	/nfs/dbraw/zinc/10/60/89/220106089.db2.gz	KJRSPVLCTKQSDB-UHFFFAOYSA-N	-1	1	366.398	4.149	50	0		FIAAMM
O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)c(F)c1	ZINC000014222043	220117690	/nfs/dbraw/zinc/11/76/90/220117690.db2.gz	BVUSAYNFZHOUFH-UHFFFAOYSA-N	-1	1	371.714	4.438	50	0		FIAAMM
Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2Br)c(C)c1	ZINC000016101165	220178117	/nfs/dbraw/zinc/17/81/17/220178117.db2.gz	WXKTXMJOXSPKIB-UHFFFAOYSA-N	-1	1	354.269	4.175	50	0		FIAAMM
Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)o1	ZINC000021032710	220349270	/nfs/dbraw/zinc/34/92/70/220349270.db2.gz	MACVKVWPGVNMEC-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2cnc(C)o2)ccc1C	ZINC000021032539	220349337	/nfs/dbraw/zinc/34/93/37/220349337.db2.gz	ABWKWLAYWQJCQC-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)o1	ZINC000021031975	220349377	/nfs/dbraw/zinc/34/93/77/220349377.db2.gz	IBZJNJGCJFESNP-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n[nH]1	ZINC000021917484	220371463	/nfs/dbraw/zinc/37/14/63/220371463.db2.gz	RKCASNKOZJJVMH-UHFFFAOYSA-N	-1	1	361.854	4.148	50	0		FIAAMM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1	ZINC000064837656	221153609	/nfs/dbraw/zinc/15/36/09/221153609.db2.gz	CJGJGVQGZVGALC-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000064837635	221153784	/nfs/dbraw/zinc/15/37/84/221153784.db2.gz	QATPCOOXGDMWFN-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
C[C@H](C(=O)Nc1ccc(F)cc1F)n1c(-c2cccs2)n[n-]c1=S	ZINC000065576720	221233859	/nfs/dbraw/zinc/23/38/59/221233859.db2.gz	OBSKDLMLNXUWID-MRVPVSSYSA-N	-1	1	366.418	4.147	50	0		FIAAMM
COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCC2)cc1O	ZINC000071285882	221338937	/nfs/dbraw/zinc/33/89/37/221338937.db2.gz	GUZYOBPBQAHIOB-MRXNPFEDSA-N	-1	1	359.451	4.304	50	0		FIAAMM
COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCC2)cc1O	ZINC000071285881	221339655	/nfs/dbraw/zinc/33/96/55/221339655.db2.gz	GUZYOBPBQAHIOB-INIZCTEOSA-N	-1	1	359.451	4.304	50	0		FIAAMM
O=S(=O)([N-]c1ccccc1Cl)c1ccc(Br)cc1F	ZINC000096171025	222068230	/nfs/dbraw/zinc/06/82/30/222068230.db2.gz	GFRLIJFILKOKHX-UHFFFAOYSA-N	-1	1	364.623	4.042	50	0		FIAAMM
COc1ccccc1-c1nc2c(c(=O)[n-]1)Cc1c(ccc3ccccc31)O2	ZINC000008568399	263355900	/nfs/dbraw/zinc/35/59/00/263355900.db2.gz	XUXUFHSGTLWEFD-UHFFFAOYSA-N	-1	1	356.381	4.295	50	0		FIAAMM
C=Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)cc1	ZINC000328596273	526280147	/nfs/dbraw/zinc/28/01/47/526280147.db2.gz	ZXIBLMAIHCHRQN-UHFFFAOYSA-N	-1	1	371.487	4.015	50	0		FIAAMM
O=C1[N-]C(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1cccnc1	ZINC000033720592	568539628	/nfs/dbraw/zinc/53/96/28/568539628.db2.gz	DHRVLVXMBVQWID-OQLLNIDSSA-N	-1	1	364.455	4.263	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c(C)c1	ZINC000095067953	570451422	/nfs/dbraw/zinc/45/14/22/570451422.db2.gz	YDMWKMQFSAXVKG-UHFFFAOYSA-N	-1	1	358.232	4.006	50	0		FIAAMM
Cc1ccccc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000003991807	570572350	/nfs/dbraw/zinc/57/23/50/570572350.db2.gz	FWWHZOJHURDXOF-UHFFFAOYSA-N	-1	1	366.442	4.048	50	0		FIAAMM
O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cn[nH]c1-c1ccccc1	ZINC000011918250	570601923	/nfs/dbraw/zinc/60/19/23/570601923.db2.gz	GORDJESKDJQSSI-UHFFFAOYSA-N	-1	1	361.401	4.371	50	0		FIAAMM
COc1cc(C(=O)Nc2cccc(SC)c2)cc(Br)c1[O-]	ZINC000025418630	570995358	/nfs/dbraw/zinc/99/53/58/570995358.db2.gz	SIVNMTXUHPRYIF-UHFFFAOYSA-N	-1	1	368.252	4.138	50	0		FIAAMM
CC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000028270525	571028695	/nfs/dbraw/zinc/02/86/95/571028695.db2.gz	RISHXPURNXAKKC-GFCCVEGCSA-N	-1	1	366.870	4.125	50	0		FIAAMM
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)co1	ZINC000008600747	571051799	/nfs/dbraw/zinc/05/17/99/571051799.db2.gz	RUIWELNZOSPRCN-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c1	ZINC000075106940	571155313	/nfs/dbraw/zinc/15/53/13/571155313.db2.gz	OGOLGPXSVUMRFA-UHFFFAOYSA-N	-1	1	359.426	4.079	50	0		FIAAMM
CC1(C)C[C@@]2(C[C@@H](c3ccccc3)c3cc(Cl)c([O-])cc3O2)NC(=O)N1	ZINC000004671251	571156976	/nfs/dbraw/zinc/15/69/76/571156976.db2.gz	CUNYRZOIZZZCMK-XOBRGWDASA-N	-1	1	372.852	4.138	50	0		FIAAMM
CCn1c(C(=O)c2cc(-c3ccccc3)nc3ccccc32)n[n-]c1=S	ZINC000006007250	571170606	/nfs/dbraw/zinc/17/06/06/571170606.db2.gz	FLKZEOPMGDGAQB-UHFFFAOYSA-N	-1	1	360.442	4.033	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)cc1F	ZINC000006316568	571177682	/nfs/dbraw/zinc/17/76/82/571177682.db2.gz	PKVCPWOMQHYPAC-UHFFFAOYSA-N	-1	1	358.232	4.006	50	0		FIAAMM
Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)c(C)s2)on1	ZINC000075435284	571178842	/nfs/dbraw/zinc/17/88/42/571178842.db2.gz	PFEHNGUTWOEAFJ-UHFFFAOYSA-N	-1	1	362.476	4.438	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1	ZINC000012548411	571179044	/nfs/dbraw/zinc/17/90/44/571179044.db2.gz	VZESYPKAPHVSGW-UHFFFAOYSA-N	-1	1	361.410	4.450	50	0		FIAAMM
O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1ccc(F)c(F)c1	ZINC000003422790	571182943	/nfs/dbraw/zinc/18/29/43/571182943.db2.gz	FIBOJHWRTQEBLS-UHFFFAOYSA-N	-1	1	369.723	4.020	50	0		FIAAMM
Cc1ccc(-c2cn3ccccc3n2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000006748122	571244734	/nfs/dbraw/zinc/24/47/34/571244734.db2.gz	IQHUBJIRWQXWAD-UHFFFAOYSA-N	-1	1	363.442	4.111	50	0		FIAAMM
O=c1[n-]c(-c2cc(Br)ccc2O)nc2c1Cc1ccccc1O2	ZINC000006748416	571244759	/nfs/dbraw/zinc/24/47/59/571244759.db2.gz	YSRPGBQEFQZQSC-UHFFFAOYSA-N	-1	1	371.190	4.014	50	0		FIAAMM
COc1cccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1	ZINC000006887624	571253204	/nfs/dbraw/zinc/25/32/04/571253204.db2.gz	NXWLHAICPCGQNI-UHFFFAOYSA-N	-1	1	370.474	4.246	50	0		FIAAMM
O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@@H](c1ccco1)CC(=O)O2	ZINC000524730308	571258342	/nfs/dbraw/zinc/25/83/42/571258342.db2.gz	FAMVYBPVUUZDHE-CYBMUJFWSA-N	-1	1	374.348	4.200	50	0	biogenic	FIAAMM
Cc1ccc(-n2cnc3cc([N-]S(=O)(=O)c4ccccc4)ccc32)cc1	ZINC000002359044	571319341	/nfs/dbraw/zinc/31/93/41/571319341.db2.gz	IKPKOHBDLTUILT-UHFFFAOYSA-N	-1	1	363.442	4.135	50	0		FIAAMM
CCOc1cccc2c1Oc1nc(-c3cc(Cl)ccc3O)[n-]c(=O)c1C2	ZINC000004169845	571356351	/nfs/dbraw/zinc/35/63/51/571356351.db2.gz	KTTLGJKBBCKQAQ-UHFFFAOYSA-N	-1	1	370.792	4.303	50	0		FIAAMM
S=c1[n-]nc2c3c4c(sc3nc(SCc3ccccc3)n12)CCC4	ZINC000006104875	1094485547	/nfs/dbraw/zinc/48/55/47/1094485547.db2.gz	FCAIJDYELKAROK-UHFFFAOYSA-N	-1	1	370.528	4.409	50	0		FIAAMM
COc1cc(Cl)c(NC(=O)c2cc3ccccc3cc2[O-])c(OC)c1	ZINC000000863746	219332976	/nfs/dbraw/zinc/33/29/76/219332976.db2.gz	OLAHZMLYJOMDMN-UHFFFAOYSA-N	-1	1	357.793	4.468	50	0		FIAAMM
O=C1OCc2cc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc21	ZINC000001059578	219360613	/nfs/dbraw/zinc/36/06/13/219360613.db2.gz	LRHHAWZNFAKDLN-UHFFFAOYSA-N	-1	1	371.458	4.206	50	0		FIAAMM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1	ZINC000001131236	219377013	/nfs/dbraw/zinc/37/70/13/219377013.db2.gz	LWHOKUQNQMOPFR-UHFFFAOYSA-N	-1	1	367.426	4.482	50	0		FIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1Cl	ZINC000002887431	219474670	/nfs/dbraw/zinc/47/46/70/219474670.db2.gz	RQICBCLDJBLKQF-UHFFFAOYSA-N	-1	1	365.760	4.168	50	0		FIAAMM
O=S(=O)([N-]c1cccc(-c2nc3cccnc3s2)c1)c1ccccc1	ZINC000004036364	219537039	/nfs/dbraw/zinc/53/70/39/219537039.db2.gz	ORMMFIYPLDBCJQ-UHFFFAOYSA-N	-1	1	367.455	4.159	50	0		FIAAMM
CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c1	ZINC000006022745	219710773	/nfs/dbraw/zinc/71/07/73/219710773.db2.gz	FYYYYHLWCWTZPA-UHFFFAOYSA-N	-1	1	365.454	4.281	50	0		FIAAMM
CCc1ccc(OCCSc2nc([O-])cc(=O)n2C2CCCCC2)cc1	ZINC000013957067	220099935	/nfs/dbraw/zinc/09/99/35/220099935.db2.gz	IAWJDAOQRMRMIG-UHFFFAOYSA-N	-1	1	374.506	4.188	50	0		FIAAMM
O=C(NCCCSc1ccccc1)c1cc(Br)ccc1[O-]	ZINC000015925056	220171788	/nfs/dbraw/zinc/17/17/88/220171788.db2.gz	BHXURLPFVOLSSQ-UHFFFAOYSA-N	-1	1	366.280	4.067	50	0		FIAAMM
Cc1cc(=O)[n-]c(SCc2nc3ccccc3n2Cc2ccccc2)n1	ZINC000017889198	220218911	/nfs/dbraw/zinc/21/89/11/220218911.db2.gz	BMJMRZMZAXIQBU-UHFFFAOYSA-N	-1	1	362.458	4.181	50	0		FIAAMM
O=S(=O)([N-]CC1=CCCCC1)c1cc(Cl)c(Cl)cc1Cl	ZINC000019942778	220307279	/nfs/dbraw/zinc/30/72/79/220307279.db2.gz	CIWJSHFUWLPGHC-UHFFFAOYSA-N	-1	1	354.686	4.426	50	0		FIAAMM
Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)on1	ZINC000020580096	220334544	/nfs/dbraw/zinc/33/45/44/220334544.db2.gz	GEVAWYDTAKNGBX-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)o1	ZINC000021032448	220349243	/nfs/dbraw/zinc/34/92/43/220349243.db2.gz	MUEXGJCTRNZDKC-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
COc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1	ZINC000021033448	220349251	/nfs/dbraw/zinc/34/92/51/220349251.db2.gz	UXRYYWGCESSFER-UHFFFAOYSA-N	-1	1	370.430	4.028	50	0		FIAAMM
Cc1ccc(CNCc2c(C)n(-c3ccc(C)cc3)c(C)c2C(=O)[O-])o1	ZINC000021025346	220349384	/nfs/dbraw/zinc/34/93/84/220349384.db2.gz	NAXUFCIXMKYMBP-UHFFFAOYSA-N	-1	1	352.434	4.292	50	0		FIAAMM
Cc1cc(-c2nnc([N-]C(=O)c3csc(-c4ccccc4)n3)o2)c(C)o1	ZINC000056904850	221081862	/nfs/dbraw/zinc/08/18/62/221081862.db2.gz	WJXQVCMSMOHYPY-UHFFFAOYSA-N	-1	1	366.402	4.322	50	0		FIAAMM
COCc1ccccc1NC(=O)[C@H](C)n1c(=S)[n-]nc1-c1cccs1	ZINC000058427141	221119777	/nfs/dbraw/zinc/11/97/77/221119777.db2.gz	VKESYSBGZCQWLH-NSHDSACASA-N	-1	1	374.491	4.015	50	0		FIAAMM
Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000064837603	221153918	/nfs/dbraw/zinc/15/39/18/221153918.db2.gz	MEFYZBLXFCRRTI-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1-c1ccno1	ZINC000064844980	221153966	/nfs/dbraw/zinc/15/39/66/221153966.db2.gz	UCOGESVOIWEJNJ-UHFFFAOYSA-N	-1	1	370.402	4.099	50	0		FIAAMM
Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccccc2)nc1	ZINC000067294211	221250567	/nfs/dbraw/zinc/25/05/67/221250567.db2.gz	JIBCQHOKQVVIJC-GYHWCHFESA-N	-1	1	371.396	4.327	50	0		FIAAMM
Cc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NCc2ccco2)c1	ZINC000067299152	221252175	/nfs/dbraw/zinc/25/21/75/221252175.db2.gz	SCQUWZXOFDABOP-GYHWCHFESA-N	-1	1	374.396	4.202	50	0		FIAAMM
CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1	ZINC000095526041	221951392	/nfs/dbraw/zinc/95/13/92/221951392.db2.gz	JJFBUZINBHFTEW-AWEZNQCLSA-N	-1	1	361.873	4.062	50	0		FIAAMM
C/C=C/C=C\C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000097990423	222218664	/nfs/dbraw/zinc/21/86/64/222218664.db2.gz	ZRWXFSUDGNQBDB-IGTFLHFFSA-N	-1	1	370.474	4.175	50	0		FIAAMM
Cc1ccc(C)c(OCCSc2nc(-c3ccccc3)cc(=O)[n-]2)c1	ZINC000005728556	570634363	/nfs/dbraw/zinc/63/43/63/570634363.db2.gz	DQHRBRIXVDDDAD-UHFFFAOYSA-N	-1	1	352.459	4.225	50	0		FIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c2ccccc12	ZINC000008132566	570677829	/nfs/dbraw/zinc/67/78/29/570677829.db2.gz	VJHIRHOOYQGPGM-UHFFFAOYSA-N	-1	1	369.442	4.242	50	0		FIAAMM
Cc1ccc2c(c1)N(C(=O)CSc1nc(C)cc(=O)[n-]1)C(C)(C)C=C2C	ZINC000016348183	570854929	/nfs/dbraw/zinc/85/49/29/570854929.db2.gz	NDRHNQALDOMCTH-UHFFFAOYSA-N	-1	1	369.490	4.120	50	0		FIAAMM
CSCC[C@H](NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)[O-]	ZINC000113404793	570963181	/nfs/dbraw/zinc/96/31/81/570963181.db2.gz	KJAVOSTVCXDMHQ-AWEZNQCLSA-N	-1	1	373.396	4.261	50	0		FIAAMM
O=S(=O)([N-]c1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(F)c1	ZINC000028791172	571034247	/nfs/dbraw/zinc/03/42/47/571034247.db2.gz	SPSPTBZKELNEMK-UHFFFAOYSA-N	-1	1	363.410	4.058	50	0		FIAAMM
CCCc1cc(=O)[n-]c(SCc2cc(Cl)ccc2OC(F)F)n1	ZINC000008665930	571054583	/nfs/dbraw/zinc/05/45/83/571054583.db2.gz	ONHRFCYUQPVJBD-UHFFFAOYSA-N	-1	1	360.813	4.270	50	0		FIAAMM
CSc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1	ZINC000009154407	571099244	/nfs/dbraw/zinc/09/92/44/571099244.db2.gz	DCCGKRAQRSLBFD-UHFFFAOYSA-N	-1	1	370.503	4.277	50	0		FIAAMM
O=C(c1cc2ccccc2cc1[O-])N1CCN(c2cccc(Cl)c2)CC1	ZINC000005940384	571168852	/nfs/dbraw/zinc/16/88/52/571168852.db2.gz	KBVCRGXPVYDISE-UHFFFAOYSA-N	-1	1	366.848	4.161	50	0		FIAAMM
COc1ccc(-c2cc3[n-]c(CN4CCC[C@@H](C)C4)nc(=O)c3s2)cc1	ZINC000036383194	571251208	/nfs/dbraw/zinc/25/12/08/571251208.db2.gz	LCBOCXOSLXMFGA-CYBMUJFWSA-N	-1	1	369.490	4.304	50	0		FIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1C	ZINC000006929479	571254928	/nfs/dbraw/zinc/25/49/28/571254928.db2.gz	CQFXOMKHVCLYBU-UHFFFAOYSA-N	-1	1	354.475	4.464	50	0		FIAAMM
COc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1	ZINC000007052961	571259592	/nfs/dbraw/zinc/25/95/92/571259592.db2.gz	NTNDEBJBSPEQJA-UHFFFAOYSA-N	-1	1	365.760	4.168	50	0		FIAAMM
Cc1ccc(Cc2nnc([N-]C(=O)c3nc4ccccc4s3)o2)cc1C	ZINC000036658596	571260204	/nfs/dbraw/zinc/26/02/04/571260204.db2.gz	HACROGJROSKKRJ-UHFFFAOYSA-N	-1	1	364.430	4.139	50	0		FIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1C(C)C	ZINC000007360643	571264753	/nfs/dbraw/zinc/26/47/53/571264753.db2.gz	JUDAZYHOQVFTSD-UHFFFAOYSA-N	-1	1	351.493	4.341	50	0		FIAAMM
CCCc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1	ZINC000009954626	571269973	/nfs/dbraw/zinc/26/99/73/571269973.db2.gz	PHNPBNMBPNISRB-UHFFFAOYSA-N	-1	1	358.492	4.260	50	0		FIAAMM
CCC1=NO[C@@H](c2nc(=O)c3c([n-]2)sc(C)c3-c2ccc(F)cc2)C1	ZINC000078807294	571326346	/nfs/dbraw/zinc/32/63/46/571326346.db2.gz	WMKZEZINDXNJTQ-CYBMUJFWSA-N	-1	1	357.410	4.327	50	0		FIAAMM
CCC(CC)c1nnc([N-]C(=O)c2cc(-c3ccccc3OC)on2)s1	ZINC000030040062	571344956	/nfs/dbraw/zinc/34/49/56/571344956.db2.gz	ZODWTARDBMOKLX-UHFFFAOYSA-N	-1	1	372.450	4.358	50	0		FIAAMM
Cc1nc2cc(S(=O)(=O)[N-]c3ccccc3)ccc2n1-c1ccccc1	ZINC000000777850	219319394	/nfs/dbraw/zinc/31/93/94/219319394.db2.gz	AHXOFJBTPRQVAO-UHFFFAOYSA-N	-1	1	363.442	4.135	50	0		FIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C(C)=O)c3c2)cc1	ZINC000001210190	219390152	/nfs/dbraw/zinc/39/01/52/219390152.db2.gz	NNOXYWBHTDCLEA-UHFFFAOYSA-N	-1	1	373.430	4.143	50	0		FIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c2cccnc12	ZINC000002455848	219445710	/nfs/dbraw/zinc/44/57/10/219445710.db2.gz	DYFDCQHCSVLNFO-UHFFFAOYSA-N	-1	1	370.474	4.360	50	0		FIAAMM
CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(C(=O)[O-])cc3)c2c1	ZINC000019792060	220296616	/nfs/dbraw/zinc/29/66/16/220296616.db2.gz	KDYOWDNWVRCKES-UHFFFAOYSA-N	-1	1	350.374	4.162	50	0		FIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CCC3	ZINC000020990224	220347890	/nfs/dbraw/zinc/34/78/90/220347890.db2.gz	MHXVQKYNGPCMHQ-UHFFFAOYSA-N	-1	1	368.458	4.105	50	0		FIAAMM
CC(C)(C)n1ncc2c1NC(=O)CS[C@H]2c1ccc([O-])c(Cl)c1	ZINC000049546791	221024493	/nfs/dbraw/zinc/02/44/93/221024493.db2.gz	MUOQMYVGHVHCHE-AWEZNQCLSA-N	-1	1	351.859	4.421	50	0		FIAAMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)ccc1Cl	ZINC000058356337	221115761	/nfs/dbraw/zinc/11/57/61/221115761.db2.gz	WAHNZEJTOUFOHO-UHFFFAOYSA-N	-1	1	367.854	4.051	50	0		FIAAMM
COCc1ccccc1NC(=O)[C@@H](C)n1c(=S)[n-]nc1-c1cccs1	ZINC000058427146	221119686	/nfs/dbraw/zinc/11/96/86/221119686.db2.gz	VKESYSBGZCQWLH-LLVKDONJSA-N	-1	1	374.491	4.015	50	0		FIAAMM
O=C([N-]c1nnc(COc2ccccc2)o1)c1cc(Cl)sc1Cl	ZINC000061974001	221137794	/nfs/dbraw/zinc/13/77/94/221137794.db2.gz	BRIACUOCBMQVIL-UHFFFAOYSA-N	-1	1	370.217	4.269	50	0		FIAAMM
Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(F)c2)c1	ZINC000064837494	221153755	/nfs/dbraw/zinc/15/37/55/221153755.db2.gz	DSWHRWVTFASEPU-UHFFFAOYSA-N	-1	1	360.410	4.207	50	0		FIAAMM
O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](c2nccn2CC2CCC2)C1	ZINC000095383958	570459653	/nfs/dbraw/zinc/45/96/53/570459653.db2.gz	LNYORDDYZFWETB-HNNXBMFYSA-N	-1	1	373.884	4.062	50	0		FIAAMM
CC(C)n1ccnc1C1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1	ZINC000095526501	570468943	/nfs/dbraw/zinc/46/89/43/570468943.db2.gz	KICYQGUJHAZDIT-UHFFFAOYSA-N	-1	1	363.461	4.343	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2CNc2ccccc2)cc1	ZINC000001174860	570487748	/nfs/dbraw/zinc/48/77/48/570487748.db2.gz	LLPDLXAUCYCTQH-UHFFFAOYSA-N	-1	1	352.459	4.408	50	0		FIAAMM
CCc1ccc2nc(Nc3nc(C)c(CCC(C)C)c(=O)[n-]3)nc(C)c2c1	ZINC000001460122	570500984	/nfs/dbraw/zinc/50/09/84/570500984.db2.gz	RDXLVTBAOMACDJ-UHFFFAOYSA-N	-1	1	365.481	4.225	50	0		FIAAMM
CCc1ccc(CC)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1	ZINC000002840760	570535805	/nfs/dbraw/zinc/53/58/05/570535805.db2.gz	PKFOQJSQUCTPQS-UHFFFAOYSA-N	-1	1	368.296	4.375	50	0		FIAAMM
CC[C@H](C)c1ccc([N-]S(=O)(=O)c2cc(NC(C)=O)ccc2C)cc1	ZINC000024070348	570549392	/nfs/dbraw/zinc/54/93/92/570549392.db2.gz	IXFHJXIUTIRKDH-ZDUSSCGKSA-N	-1	1	360.479	4.268	50	0		FIAAMM
Nc1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)ccc1Cl	ZINC000003885363	570570353	/nfs/dbraw/zinc/57/03/53/570570353.db2.gz	IXYMGKKLPAPPRA-UHFFFAOYSA-N	-1	1	364.826	4.038	50	0		FIAAMM
CC(C)c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1	ZINC000006316342	570645378	/nfs/dbraw/zinc/64/53/78/570645378.db2.gz	GIAXKLYXZXPMEO-UHFFFAOYSA-N	-1	1	354.269	4.373	50	0		FIAAMM
O=S(=O)([N-]c1cccc(F)c1)c1cccc(COc2ccccc2)c1	ZINC000072265353	571008562	/nfs/dbraw/zinc/00/85/62/571008562.db2.gz	YWGZTFHHBUBXDJ-UHFFFAOYSA-N	-1	1	357.406	4.206	50	0		FIAAMM
CC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000028270528	571028800	/nfs/dbraw/zinc/02/88/00/571028800.db2.gz	RISHXPURNXAKKC-LBPRGKRZSA-N	-1	1	366.870	4.125	50	0		FIAAMM
C[C@@H](OC(=O)c1cccs1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1	ZINC000009415661	571108469	/nfs/dbraw/zinc/10/84/69/571108469.db2.gz	SSAWXOUBMNBACT-SECBINFHSA-N	-1	1	372.427	4.224	50	0		FIAAMM
CCN(Cc1ccccc1)c1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000003392691	571113425	/nfs/dbraw/zinc/11/34/25/571113425.db2.gz	XXMNILPTDVDNBJ-SFQUDFHCSA-N	-1	1	354.500	4.202	50	0		FIAAMM
CSc1nc2ccc([N-]S(=O)(=O)c3cc(C)cc(C)c3)cc2s1	ZINC000033298819	571231019	/nfs/dbraw/zinc/23/10/19/571231019.db2.gz	FBNTZLSYMSCZRE-UHFFFAOYSA-N	-1	1	364.517	4.436	50	0		FIAAMM
CCc1ccc(S(=O)(=O)[N-]c2ccc3nc(SC)sc3c2)cc1	ZINC000033298813	571231079	/nfs/dbraw/zinc/23/10/79/571231079.db2.gz	CPARPVOWDRIHML-UHFFFAOYSA-N	-1	1	364.517	4.381	50	0		FIAAMM
CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccccc1)c(C)c2C	ZINC000585152483	571235249	/nfs/dbraw/zinc/23/52/49/571235249.db2.gz	NKZWNTRGLGBERM-UHFFFAOYSA-N	-1	1	357.431	4.361	50	0		FIAAMM
COc1ccc(-c2n[n-]c(=S)n2C/C=C\c2ccccc2)cc1OC	ZINC000033343383	571236538	/nfs/dbraw/zinc/23/65/38/571236538.db2.gz	DYZJPVBJHLXFGK-TWGQIWQCSA-N	-1	1	353.447	4.338	50	0		FIAAMM
Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)s2)o1	ZINC000065003937	571250067	/nfs/dbraw/zinc/25/00/67/571250067.db2.gz	XXOAYKYLZGHLEU-UHFFFAOYSA-N	-1	1	372.830	4.305	50	0		FIAAMM
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000007005597	571256800	/nfs/dbraw/zinc/25/68/00/571256800.db2.gz	WXVGTNXOAILLGE-UHFFFAOYSA-N	-1	1	360.410	4.152	50	0		FIAAMM
CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cccc(C(C)C)c3)ccc2[nH]1	ZINC000182497420	1125530500	/nfs/dbraw/zinc/53/05/00/1125530500.db2.gz	XMRLTPCNTVWWLY-UHFFFAOYSA-N	-1	1	370.474	4.015	50	0		FIAAMM
CCOC(=O)c1ccc2nc(C)cc(Nc3cccc(C(=O)[O-])c3)c2c1	ZINC000000144321	219305504	/nfs/dbraw/zinc/30/55/04/219305504.db2.gz	UZMLUUBOXIBBQN-UHFFFAOYSA-N	-1	1	350.374	4.162	50	0		FIAAMM
Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1C	ZINC000000645270	219308873	/nfs/dbraw/zinc/30/88/73/219308873.db2.gz	NZCPKEVKQBNFFT-UHFFFAOYSA-N	-1	1	374.245	4.109	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1	ZINC000000869670	219333962	/nfs/dbraw/zinc/33/39/62/219333962.db2.gz	YFGANYUHEYZGQQ-UHFFFAOYSA-N	-1	1	366.442	4.048	50	0		FIAAMM
CC(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000000937534	219343835	/nfs/dbraw/zinc/34/38/35/219343835.db2.gz	DKHOXCKDOSEZMP-UHFFFAOYSA-N	-1	1	369.442	4.206	50	0		FIAAMM
C[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3c2C1	ZINC000000944103	219344632	/nfs/dbraw/zinc/34/46/32/219344632.db2.gz	QZGYOSUZJHMTFP-LBPRGKRZSA-N	-1	1	359.422	4.498	50	0		FIAAMM
O=C(COc1ccccc1)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1	ZINC000001207781	219390099	/nfs/dbraw/zinc/39/00/99/219390099.db2.gz	SSNLHKQIXOVDQS-UHFFFAOYSA-N	-1	1	360.369	4.218	50	0		FIAAMM
Cc1cccc([C@H](Nc2ccc(Br)cc2)[P@](=O)([O-])O)c1	ZINC000012526545	220002799	/nfs/dbraw/zinc/00/27/99/220002799.db2.gz	URVKHGHUVVNAIZ-CQSZACIVSA-N	-1	1	356.156	4.046	50	0		FIAAMM
CCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1	ZINC000012727921	220022944	/nfs/dbraw/zinc/02/29/44/220022944.db2.gz	DNWJMWAGFNNGRU-INIZCTEOSA-N	-1	1	374.506	4.023	50	0		FIAAMM
O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cc(Cl)ccc1Cl	ZINC000012946150	220046498	/nfs/dbraw/zinc/04/64/98/220046498.db2.gz	HTVDLWYKXWUHFF-UHFFFAOYSA-N	-1	1	356.152	4.212	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccccc2)cc1	ZINC000012979147	220048384	/nfs/dbraw/zinc/04/83/84/220048384.db2.gz	KNAUPZTYFHTKJH-OAHLLOKOSA-N	-1	1	366.490	4.184	50	0		FIAAMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1Cl	ZINC000014097603	220106666	/nfs/dbraw/zinc/10/66/66/220106666.db2.gz	QFSWMVYOEFQEHF-UHFFFAOYSA-N	-1	1	374.849	4.252	50	0		FIAAMM
CCCCCc1c(C)nc(Nc2nc(C)c3cc(C)ccc3n2)[n-]c1=O	ZINC000018266649	220228924	/nfs/dbraw/zinc/22/89/24/220228924.db2.gz	LLYSVYJICLFJFH-UHFFFAOYSA-N	-1	1	351.454	4.115	50	0		FIAAMM
O=S(=O)([N-]c1cccc(C2SCCCS2)c1)c1cccc(F)c1	ZINC000018708246	220231530	/nfs/dbraw/zinc/23/15/30/220231530.db2.gz	WBKUDRNBFVQPGT-UHFFFAOYSA-N	-1	1	369.508	4.495	50	0		FIAAMM
Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)on1	ZINC000020580245	220334608	/nfs/dbraw/zinc/33/46/08/220334608.db2.gz	NWUBFZFMYQAZEA-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
CC(C)=C1c2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)ccc2NC1=O	ZINC000020577898	220335100	/nfs/dbraw/zinc/33/51/00/220335100.db2.gz	SHSPLRHBUQGFTO-UHFFFAOYSA-N	-1	1	370.474	4.356	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)c(C)c2)on1	ZINC000064979626	221160788	/nfs/dbraw/zinc/16/07/88/221160788.db2.gz	ILTLLDAZENMHII-UHFFFAOYSA-N	-1	1	356.447	4.376	50	0		FIAAMM
CCc1ccc([N-]S(=O)(=O)c2ccc(-c3c(C)noc3C)cc2)cc1	ZINC000064837658	221153877	/nfs/dbraw/zinc/15/38/77/221153877.db2.gz	KEQZYHXITZROGM-UHFFFAOYSA-N	-1	1	356.447	4.322	50	0		FIAAMM
CSCC[C@@H](NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)[O-]	ZINC000113404797	222495689	/nfs/dbraw/zinc/49/56/89/222495689.db2.gz	KJAVOSTVCXDMHQ-CQSZACIVSA-N	-1	1	373.396	4.261	50	0		FIAAMM
Cc1cc(C)cc(N[C@H](c2ccc(OC(F)F)cc2)[P@](=O)([O-])O)c1	ZINC000024769731	568095745	/nfs/dbraw/zinc/09/57/45/568095745.db2.gz	ONEQRTZDJVTDFG-HNNXBMFYSA-N	-1	1	357.293	4.193	50	0		FIAAMM
CCCCc1nnc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)s1	ZINC000023364599	570538667	/nfs/dbraw/zinc/53/86/67/570538667.db2.gz	NONRAAWRDJURLO-UHFFFAOYSA-N	-1	1	362.842	4.441	50	0		FIAAMM
Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3C)cn2)cc1	ZINC000034840398	570557147	/nfs/dbraw/zinc/55/71/47/570557147.db2.gz	TWIBMYUERTUMLX-UHFFFAOYSA-N	-1	1	354.431	4.292	50	0		FIAAMM
CC(C)c1cccc(NC(=O)Cc2n[n-]c(=S)n2Cc2ccccc2)c1	ZINC000011869451	570597735	/nfs/dbraw/zinc/59/77/35/570597735.db2.gz	LTJFDCNHMMDUAE-UHFFFAOYSA-N	-1	1	366.490	4.294	50	0		FIAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)c1ccc(Cl)s1	ZINC000005177935	570622011	/nfs/dbraw/zinc/62/20/11/570622011.db2.gz	BHRXXSRNPABJBG-UHFFFAOYSA-N	-1	1	362.863	4.127	50	0		FIAAMM
CCOC(=O)c1c([N-]C(=O)c2onc(C)c2Cl)sc2c1CCCC2	ZINC000006738150	570653247	/nfs/dbraw/zinc/65/32/47/570653247.db2.gz	LFUFHTBIPWMMFE-UHFFFAOYSA-N	-1	1	368.842	4.006	50	0		FIAAMM
Cc1nc(N2C[C@H](C)C[C@@H](C)C2)[n-]c(=O)c1Cc1cccc2ccccc21	ZINC000009332328	570694262	/nfs/dbraw/zinc/69/42/62/570694262.db2.gz	XBTFTZLIIVSZAI-HZPDHXFCSA-N	-1	1	361.489	4.305	50	0		FIAAMM
CCCCCCc1cc2cc(C(=O)Nc3ccccn3)c(=O)oc2cc1[O-]	ZINC000004550406	570823910	/nfs/dbraw/zinc/82/39/10/570823910.db2.gz	PWHCTKCZCWTWQA-UHFFFAOYSA-N	-1	1	366.417	4.269	50	0		FIAAMM
O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccccn1	ZINC000006252325	571158265	/nfs/dbraw/zinc/15/82/65/571158265.db2.gz	HHKUKIDPPYTJJQ-LJQANCHMSA-N	-1	1	374.371	4.004	50	0		FIAAMM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccccn1	ZINC000006252325	571158267	/nfs/dbraw/zinc/15/82/67/571158267.db2.gz	HHKUKIDPPYTJJQ-LJQANCHMSA-N	-1	1	374.371	4.004	50	0		FIAAMM
CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(C(F)(F)F)cc1	ZINC000095473411	571330833	/nfs/dbraw/zinc/33/08/33/571330833.db2.gz	PYRAQPIWKWVDOX-CYBMUJFWSA-N	-1	1	371.384	4.200	50	0		FIAAMM
CCc1ccc2[n-]cc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)c2c1	ZINC000002705810	571340429	/nfs/dbraw/zinc/34/04/29/571340429.db2.gz	FNUIJXRYNXFDML-UHFFFAOYSA-N	-1	1	369.486	4.221	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1	ZINC000003911273	571353249	/nfs/dbraw/zinc/35/32/49/571353249.db2.gz	DMCJUNXFTHRQME-UHFFFAOYSA-N	-1	1	363.442	4.339	50	0		FIAAMM
O=C1[N-]C(=S)SC1=Cc1cccc(C=C2SC(=S)NC2=O)c1	ZINC000033368313	1122395345	/nfs/dbraw/zinc/39/53/45/1122395345.db2.gz	AYGXCXUMHDVVJU-VTBWALSUSA-N	-1	1	364.498	4.345	50	0		FIAAMM
Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000000823271	219326707	/nfs/dbraw/zinc/32/67/07/219326707.db2.gz	XIDWKXHHVZQNPH-UHFFFAOYSA-N	-1	1	366.442	4.048	50	0		FIAAMM
CC(C)CN1C(=S)SC(C)(C)[C@@H]1N([O-])C(=O)Nc1ccccc1	ZINC000000850727	219331202	/nfs/dbraw/zinc/33/12/02/219331202.db2.gz	RYCLNNRJHLFXOK-ZDUSSCGKSA-N	-1	1	353.513	4.004	50	0		FIAAMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCCCC1	ZINC000000859491	219331644	/nfs/dbraw/zinc/33/16/44/219331644.db2.gz	LCLWHRCNVPYPLC-UHFFFAOYSA-N	-1	1	358.463	4.006	50	0		FIAAMM
COc1ccc(-c2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2)cc1	ZINC000001100351	219369731	/nfs/dbraw/zinc/36/97/31/219369731.db2.gz	ZRZPWWLOMYABOW-UHFFFAOYSA-N	-1	1	369.442	4.172	50	0		FIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1OC	ZINC000001131515	219376626	/nfs/dbraw/zinc/37/66/26/219376626.db2.gz	DAQCQYRVEHHVCG-UHFFFAOYSA-N	-1	1	369.442	4.172	50	0		FIAAMM
CSc1nnc2c(n1)O[C@H](c1ccc([O-])c(Cl)c1)Nc1ccccc1-2	ZINC000002977888	219479537	/nfs/dbraw/zinc/47/95/37/219479537.db2.gz	BOVQCYPDMUEZOK-OAHLLOKOSA-N	-1	1	372.837	4.123	50	0		FIAAMM
Cc1nc2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2o1	ZINC000012771912	220028177	/nfs/dbraw/zinc/02/81/77/220028177.db2.gz	KVGQOCCFZGQVAA-UHFFFAOYSA-N	-1	1	358.463	4.479	50	0		FIAAMM
COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)c1	ZINC000013123237	220058557	/nfs/dbraw/zinc/05/85/57/220058557.db2.gz	ZHZIATMAWOILEL-UHFFFAOYSA-N	-1	1	360.369	4.461	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2cccs2)cc1	ZINC000014134494	220108767	/nfs/dbraw/zinc/10/87/67/220108767.db2.gz	FQYIHEFFJGAJSR-CYBMUJFWSA-N	-1	1	372.519	4.245	50	0		FIAAMM
Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)on1	ZINC000020580068	220335396	/nfs/dbraw/zinc/33/53/96/220335396.db2.gz	YZSUWFLGYXODAK-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)s2)on1	ZINC000020978437	220346503	/nfs/dbraw/zinc/34/65/03/220346503.db2.gz	UCQMLFMEKOHPOQ-UHFFFAOYSA-N	-1	1	372.830	4.305	50	0		FIAAMM
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)co1	ZINC000021111240	220352180	/nfs/dbraw/zinc/35/21/80/220352180.db2.gz	ADRBTRCTAAZZTJ-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
CSc1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1	ZINC000055544732	221070561	/nfs/dbraw/zinc/07/05/61/221070561.db2.gz	MZUSXVBQLKRMKD-UHFFFAOYSA-N	-1	1	370.503	4.277	50	0		FIAAMM
Cc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[n-]c2=S)c(C)c1	ZINC000064334958	221146851	/nfs/dbraw/zinc/14/68/51/221146851.db2.gz	XKUWUVLRNPSSPD-GFCCVEGCSA-N	-1	1	358.492	4.486	50	0		FIAAMM
Cc1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[n-]c2=S)c(C)c1	ZINC000065532019	221230796	/nfs/dbraw/zinc/23/07/96/221230796.db2.gz	XKUWUVLRNPSSPD-LBPRGKRZSA-N	-1	1	358.492	4.486	50	0		FIAAMM
C[C@@H]1C[C@H](CC(=O)N2CCC[C@H](c3n[n-]c(=S)n3C)C2)CC(C)(C)C1	ZINC000078621991	525404201	/nfs/dbraw/zinc/40/42/01/525404201.db2.gz	IXDMPSMIAGWLKX-KFWWJZLASA-N	-1	1	364.559	4.036	50	0		FIAAMM
O=S(=O)([N-]c1cccc2ccccc21)c1ccc(Br)cc1	ZINC000000682281	570449262	/nfs/dbraw/zinc/44/92/62/570449262.db2.gz	QLMNNUFBRRSPQF-UHFFFAOYSA-N	-1	1	362.248	4.403	50	0		FIAAMM
O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(Br)c(F)c1	ZINC000095067926	570451349	/nfs/dbraw/zinc/45/13/49/570451349.db2.gz	SMIAIMLUODNVGF-UHFFFAOYSA-N	-1	1	364.623	4.042	50	0		FIAAMM
O=S(=O)([N-]CCc1ccccc1)c1cc(Cl)c(Cl)cc1Cl	ZINC000002561763	570524809	/nfs/dbraw/zinc/52/48/09/570524809.db2.gz	AYADJMRPWQDYLW-UHFFFAOYSA-N	-1	1	364.681	4.168	50	0		FIAAMM
Cc1oc(-c2cccc(C)c2)nc1CSc1nc2c(c(=O)[n-]1)CCCC2	ZINC000004952882	570566767	/nfs/dbraw/zinc/56/67/67/570566767.db2.gz	VJEDDTSBNDGDHM-UHFFFAOYSA-N	-1	1	367.474	4.213	50	0		FIAAMM
CCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2[O-])cc1	ZINC000006668510	570651551	/nfs/dbraw/zinc/65/15/51/570651551.db2.gz	IMSIRNVFUMADKP-UHFFFAOYSA-N	-1	1	360.413	4.459	50	0		FIAAMM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1	ZINC000003328875	570660737	/nfs/dbraw/zinc/66/07/37/570660737.db2.gz	VHYRPYBGLFVFGX-UHFFFAOYSA-N	-1	1	361.463	4.096	50	0		FIAAMM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC)cc2)cc1	ZINC000005652757	570684170	/nfs/dbraw/zinc/68/41/70/570684170.db2.gz	NQOIBTIFFWTKEF-CQSZACIVSA-N	-1	1	361.463	4.178	50	0		FIAAMM
Cc1ccc(-c2cc(C(=O)[N-]c3nnc(CC(C)C)s3)no2)cc1F	ZINC000027991994	571025386	/nfs/dbraw/zinc/02/53/86/571025386.db2.gz	ZFMOUQFBPGDPHR-UHFFFAOYSA-N	-1	1	360.414	4.091	50	0		FIAAMM
COc1cccc(NC(=O)c2c[n-]c3c(cccc3C(F)(F)F)c2=O)c1	ZINC000012421859	571097914	/nfs/dbraw/zinc/09/79/14/571097914.db2.gz	ZLLVDSULZPUPPB-UHFFFAOYSA-N	-1	1	362.307	4.220	50	0		FIAAMM
CC(C)c1nnc([N-]C(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)s1	ZINC000009304897	571103721	/nfs/dbraw/zinc/10/37/21/571103721.db2.gz	JANWOAPKLMKSIU-UHFFFAOYSA-N	-1	1	368.462	4.448	50	0		FIAAMM
Cc1c(CNCc2ccco2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1	ZINC000009746501	571118602	/nfs/dbraw/zinc/11/86/02/571118602.db2.gz	HHSVDTZEWISFKP-UHFFFAOYSA-N	-1	1	352.434	4.043	50	0		FIAAMM
Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3cccc4c3CCCC4)cc2)o1	ZINC000009807695	571119467	/nfs/dbraw/zinc/11/94/67/571119467.db2.gz	KUWCOCJOGYRSGB-UHFFFAOYSA-N	-1	1	368.458	4.330	50	0		FIAAMM
Cc1cc(-c2cc(S(=O)(=O)[N-]c3c(C)cccc3C)c(C)s2)on1	ZINC000075435262	571178900	/nfs/dbraw/zinc/17/89/00/571178900.db2.gz	WCKASTWMQGMFFU-UHFFFAOYSA-N	-1	1	362.476	4.438	50	0		FIAAMM
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1	ZINC000012552429	571179957	/nfs/dbraw/zinc/17/99/57/571179957.db2.gz	QFLZOJRTIKKWPS-HNNXBMFYSA-N	-1	1	372.490	4.128	50	0		FIAAMM
O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1ccc(Cl)cc1	ZINC000006328759	571180619	/nfs/dbraw/zinc/18/06/19/571180619.db2.gz	NOCJTWRYHULORE-UHFFFAOYSA-N	-1	1	368.188	4.396	50	0		FIAAMM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2)on1	ZINC000006941805	571255387	/nfs/dbraw/zinc/25/53/87/571255387.db2.gz	ZCBIUBZOXKIJFW-UHFFFAOYSA-N	-1	1	362.838	4.413	50	0		FIAAMM
CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nncs2)cc1	ZINC000253424456	571312963	/nfs/dbraw/zinc/31/29/63/571312963.db2.gz	GKDFGDOZWFHXKR-UHFFFAOYSA-N	-1	1	359.476	4.129	50	0		FIAAMM
CC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000028409705	571339167	/nfs/dbraw/zinc/33/91/67/571339167.db2.gz	CDNVEMDTUFGKFR-AWEZNQCLSA-N	-1	1	360.479	4.089	50	0		FIAAMM
O=C(CC([O-])(C(F)(F)F)C(F)(F)F)Nc1cc(Cl)ccc1Cl	ZINC000002764894	571340898	/nfs/dbraw/zinc/34/08/98/571340898.db2.gz	CHDSSMBJLKXCGX-UHFFFAOYSA-N	-1	1	370.076	4.178	50	0		FIAAMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1	ZINC000003334831	571347639	/nfs/dbraw/zinc/34/76/39/571347639.db2.gz	ZGAJRUIWYJRHTR-UHFFFAOYSA-N	-1	1	367.426	4.482	50	0		FIAAMM
Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)[nH]n2)cc1	ZINC000007988250	571358255	/nfs/dbraw/zinc/35/82/55/571358255.db2.gz	ZZKBFTBZQRWDPC-UHFFFAOYSA-N	-1	1	363.442	4.339	50	0		FIAAMM
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc(Cl)c2Cl)N1	ZINC000000754298	219318485	/nfs/dbraw/zinc/31/84/85/219318485.db2.gz	UTVGARSJGBIOIP-ZBFHGGJFSA-N	-1	1	361.228	4.163	50	0		FIAAMM
CC(=O)Oc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl	ZINC000000879744	219335664	/nfs/dbraw/zinc/33/56/64/219335664.db2.gz	GALMRRYTWYBSSV-UHFFFAOYSA-N	-1	1	374.245	4.028	50	0		FIAAMM
O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1	ZINC000001186768	219386151	/nfs/dbraw/zinc/38/61/51/219386151.db2.gz	UPZDCPCLINOSEY-UHFFFAOYSA-N	-1	1	353.724	4.299	50	0		FIAAMM
COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)cc1	ZINC000001209983	219389597	/nfs/dbraw/zinc/38/95/97/219389597.db2.gz	IEWXCMVBIYIVMB-UHFFFAOYSA-N	-1	1	360.369	4.461	50	0	biogenic	FIAAMM
O=C(CC([O-])(C(F)(F)F)C(F)(F)F)Nc1ccc(Cl)c(Cl)c1	ZINC000002760655	219462885	/nfs/dbraw/zinc/46/28/85/219462885.db2.gz	OPKJUDPAICUZRP-UHFFFAOYSA-N	-1	1	370.076	4.178	50	0		FIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2cccs2)cc1	ZINC000014134496	220108446	/nfs/dbraw/zinc/10/84/46/220108446.db2.gz	FQYIHEFFJGAJSR-ZDUSSCGKSA-N	-1	1	372.519	4.245	50	0		FIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC(C)C)ccc2C)c1	ZINC000015950428	220173669	/nfs/dbraw/zinc/17/36/69/220173669.db2.gz	MTIXVEPYMIKWHX-UHFFFAOYSA-N	-1	1	360.479	4.089	50	0		FIAAMM
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)co1	ZINC000021111405	220352426	/nfs/dbraw/zinc/35/24/26/220352426.db2.gz	HQEJEONKPUNWSE-UHFFFAOYSA-N	-1	1	366.801	4.243	50	0		FIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)cc1	ZINC000020990308	220348450	/nfs/dbraw/zinc/34/84/50/220348450.db2.gz	IHWVWXUHXGGXSS-UHFFFAOYSA-N	-1	1	368.458	4.105	50	0		FIAAMM
CCCCn1cc(S(=O)(=O)[N-]c2ccc(C)cc2F)c2cccnc21	ZINC000065242352	221185628	/nfs/dbraw/zinc/18/56/28/221185628.db2.gz	BRIMLZCHUCTGCK-UHFFFAOYSA-N	-1	1	361.442	4.085	50	0		FIAAMM
O=C(c1ccc([O-])cc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21	ZINC000106937302	222389434	/nfs/dbraw/zinc/38/94/34/222389434.db2.gz	OSCKQCVENLJRRE-OFNKIYASSA-N	-1	1	370.408	4.145	50	0		FIAAMM
CCOc1ccc(-c2nc3c(c(=O)[n-]2)Cc2cc(Cl)ccc2O3)cc1	ZINC000008569302	263356358	/nfs/dbraw/zinc/35/63/58/263356358.db2.gz	HFAQCQXGGCZCAF-UHFFFAOYSA-N	-1	1	354.793	4.186	50	0		FIAAMM
Cc1c(CNCc2ccccc2F)c(C(=O)[O-])c(C)n1Cc1ccccc1	ZINC000020413576	525725342	/nfs/dbraw/zinc/72/53/42/525725342.db2.gz	LNFLKQDJYKHWMP-UHFFFAOYSA-N	-1	1	366.436	4.280	50	0		FIAAMM
O=C(Cc1ccc([O-])c(Cl)c1)NCC1(c2cccc(F)c2)CCCC1	ZINC000222243403	568507798	/nfs/dbraw/zinc/50/77/98/568507798.db2.gz	FRZRXXWHYOYPTD-UHFFFAOYSA-N	-1	1	361.844	4.355	50	0		FIAAMM
CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1	ZINC000095385842	570460368	/nfs/dbraw/zinc/46/03/68/570460368.db2.gz	UGZRGGXLBSRRSX-GOSISDBHSA-N	-1	1	363.461	4.343	50	0		FIAAMM
CCOCc1nnc([N-]C(=O)c2sc3ccccc3c2Cl)s1	ZINC000002849583	570536864	/nfs/dbraw/zinc/53/68/64/570536864.db2.gz	FQWCOXIZCXBVCU-UHFFFAOYSA-N	-1	1	353.856	4.195	50	0		FIAAMM
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc2ccccc2cc1[O-]	ZINC000023601372	570541845	/nfs/dbraw/zinc/54/18/45/570541845.db2.gz	WTNULIFEMRIWLB-UHFFFAOYSA-N	-1	1	357.356	4.419	50	0		FIAAMM
O=C([N-]c1nnc(Cc2cccs2)o1)c1cc(Cl)sc1Cl	ZINC000011694647	570548649	/nfs/dbraw/zinc/54/86/49/570548649.db2.gz	VHROOMGVHLVNEH-UHFFFAOYSA-N	-1	1	360.247	4.343	50	0		FIAAMM
Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000005260115	570641089	/nfs/dbraw/zinc/64/10/89/570641089.db2.gz	KUTBFQGLOCBKQH-UHFFFAOYSA-N	-1	1	360.660	4.212	50	0		FIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)cc1	ZINC000006270154	570644627	/nfs/dbraw/zinc/64/46/27/570644627.db2.gz	ZDLRWCFLDLLYPG-UHFFFAOYSA-N	-1	1	372.471	4.110	50	0		FIAAMM
CCc1cc(=O)[n-]c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1	ZINC000011903406	570711178	/nfs/dbraw/zinc/71/11/78/570711178.db2.gz	GCKNLAJUBMFNQH-UHFFFAOYSA-N	-1	1	373.522	4.310	50	0		FIAAMM
O=S(=O)([N-]c1ccc(Br)cc1)c1cccc2ccccc21	ZINC000002841840	570768915	/nfs/dbraw/zinc/76/89/15/570768915.db2.gz	RMCBTWLVSSPUMI-UHFFFAOYSA-N	-1	1	362.248	4.403	50	0		FIAAMM
COc1ccc(C(C)=O)cc1CSc1nc(C)c(CCC(C)C)c(=O)[n-]1	ZINC000018179689	570876265	/nfs/dbraw/zinc/87/62/65/570876265.db2.gz	BUFDMJFVKVYJFM-UHFFFAOYSA-N	-1	1	374.506	4.170	50	0		FIAAMM
Cc1ccccc1OCCCSc1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000113929066	570966827	/nfs/dbraw/zinc/96/68/27/570966827.db2.gz	RRQIJLODVBFKJI-UHFFFAOYSA-N	-1	1	352.459	4.307	50	0		FIAAMM
CCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccccc3C)cc21	ZINC000005214429	570969195	/nfs/dbraw/zinc/96/91/95/570969195.db2.gz	HKKDSGBMCYNADS-UHFFFAOYSA-N	-1	1	373.430	4.027	50	0		FIAAMM
CCOc1cc(-c2n[n-]c(=S)n2Cc2ccco2)ccc1OC(F)F	ZINC000008477922	571047969	/nfs/dbraw/zinc/04/79/69/571047969.db2.gz	KTJCVIGXFSVBKU-UHFFFAOYSA-N	-1	1	367.377	4.249	50	0		FIAAMM
O=C1C[C@H](c2cccc3ccccc32)c2c(=O)[n-]c(-c3ccccc3)nc2N1	ZINC000008769141	571060695	/nfs/dbraw/zinc/06/06/95/571060695.db2.gz	ANBLLHDYTCHWKS-GOSISDBHSA-N	-1	1	367.408	4.064	50	0		FIAAMM
CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@@H](c2ccc3c(c2)OCO3)S1	ZINC000085411981	571113509	/nfs/dbraw/zinc/11/35/09/571113509.db2.gz	PFHJTRFTPKVTLI-QGZVFWFLSA-N	-1	1	371.462	4.296	50	0		FIAAMM
O=C([N-]c1nnc(-c2cc3ccccc3o2)o1)c1nc2ccccc2s1	ZINC000009828019	571119743	/nfs/dbraw/zinc/11/97/43/571119743.db2.gz	OWLLEABDLLWBRF-UHFFFAOYSA-N	-1	1	362.370	4.345	50	0		FIAAMM
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(Cl)cc2Cl)N1	ZINC000003910372	571136653	/nfs/dbraw/zinc/13/66/53/571136653.db2.gz	ZJDRIKAAFJMYGX-JKSUJKDBSA-N	-1	1	361.228	4.163	50	0	biogenic	FIAAMM
Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c2)no1	ZINC000033086412	571154849	/nfs/dbraw/zinc/15/48/49/571154849.db2.gz	MLKJSJSLLSRXFO-UHFFFAOYSA-N	-1	1	371.462	4.278	50	0		FIAAMM
CCc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)no1	ZINC000033086464	571154945	/nfs/dbraw/zinc/15/49/45/571154945.db2.gz	UZOFTIROZZVGGG-UHFFFAOYSA-N	-1	1	371.462	4.025	50	0		FIAAMM
Cc1cc(C)c(C(=O)N2CCC[C@H](c3n[n-]c(=S)n3C3CC3)C2)c(C)c1	ZINC000090599595	571179579	/nfs/dbraw/zinc/17/95/79/571179579.db2.gz	FUJDCVHBHCVOTE-HNNXBMFYSA-N	-1	1	370.522	4.221	50	0		FIAAMM
CCOc1c(C)cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(C)c1C	ZINC000072414296	571192311	/nfs/dbraw/zinc/19/23/11/571192311.db2.gz	YPMOJKRAJSUACJ-UHFFFAOYSA-N	-1	1	370.474	4.360	50	0		FIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)c1	ZINC000033269669	571226865	/nfs/dbraw/zinc/22/68/65/571226865.db2.gz	ARQPGMRUDKNACH-UHFFFAOYSA-N	-1	1	369.446	4.032	50	0		FIAAMM
COc1ccc(-c2cc3[n-]c(CN4CCC[C@H](C)C4)nc(=O)c3s2)cc1	ZINC000036383195	571251202	/nfs/dbraw/zinc/25/12/02/571251202.db2.gz	LCBOCXOSLXMFGA-ZDUSSCGKSA-N	-1	1	369.490	4.304	50	0		FIAAMM
O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@H](c1ccco1)CC(=O)O2	ZINC000524730309	571258363	/nfs/dbraw/zinc/25/83/63/571258363.db2.gz	FAMVYBPVUUZDHE-ZDUSSCGKSA-N	-1	1	374.348	4.200	50	0	biogenic	FIAAMM
Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1	ZINC000003358096	571348282	/nfs/dbraw/zinc/34/82/82/571348282.db2.gz	BDMUQYWXSTYZFV-UHFFFAOYSA-N	-1	1	374.245	4.109	50	0		FIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2/C=C/c2ccncc2)cc1	ZINC000000600733	571352346	/nfs/dbraw/zinc/35/23/46/571352346.db2.gz	CIJCDFMGZYKSSC-VOTSOKGWSA-N	-1	1	366.442	4.061	50	0		FIAAMM